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4-[(Piperidine-3-carbonyl)amino]benzamide

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Name

4-[(Piperidine-3-carbonyl)amino]benzamide

EINECS N/A
CAS No. 609780-68-9 Density 1.237g/cm3
PSA 84.22000 LogP 1.82570
Solubility N/A Melting Point N/A
Formula C13H17N3O2 Boiling Point 526.7 °C at 760 mmHg
Molecular Weight 247.297 Flash Point 272.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 609780-68-9 (PIPERIDINE-3-CARBOXYLIC ACID (4-CARBAMOYL-PHENYL)-AMIDE) Hazard Symbols N/A
Synonyms

Piperidine-3-carboxylic acid (4-carbamoyl-phenyl)-amide;

 

4-[(Piperidine-3-carbonyl)amino]benzamide Specification

The 4-[(Piperidine-3-carbonyl)amino]benzamide, with CAS registry number 609780-68-9, belongs to the following product category: Amide. It has the systematic name of N-(4-carbamoylphenyl)piperidine-3-carboxamide. Besides this, it is also called 3-Piperidinecarboxamide,N-[4-(aminocarbonyl)phenyl]-(9CI).

Physical properties of 4-[(Piperidine-3-carbonyl)amino]benzamide: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 84.22 Å2; (11)Index of Refraction: 1.608; (12)Molar Refractivity: 69.09 cm3; (13)Molar Volume: 199.7 cm3; (14)Polarizability: 27.38×10-24cm3; (15)Surface Tension: 56.3 dyne/cm; (16)Enthalpy of Vaporization: 80.12 kJ/mol; (17)Vapour Pressure: 3.48E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)C(N)=O)C2CNCCC2
(2)InChI: InChI=1/C13H17N3O2/c14-12(17)9-3-5-11(6-4-9)16-13(18)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2,(H2,14,17)(H,16,18)
(3)InChIKey: ATVMOJTXLXJIPR-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C13H17N3O2/c14-12(17)9-3-5-11(6-4-9)16-13(18)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2,(H2,14,17)(H,16,18)
(5)Std. InChIKey: ATVMOJTXLXJIPR-UHFFFAOYSA-N

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