N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride

C19H21Cl2N3O2 — CID 119326813

IUPACN-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)c1cc(NC(=O)C2CCNCC2)ccc1Cl
InChIInChI=1S/C19H20ClN3O2.ClH/c20-17-7-6-15(23-18(24)13-8-10-21-11-9-13)12-16(17)19(25)22-14-4-2-1-3-5-14;/h1-7,12-13,21H,8-11H2,(H,22,25)(H,23,24);1H
InChIKeyRHAFYAKSSFWWGM-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.95
Rot. Bonds4

About N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride

N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119326813) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119326813
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)c1cc(NC(=O)C2CCNCC2)ccc1Cl
InChIInChI=1S/C19H20ClN3O2.ClH/c20-17-7-6-15(23-18(24)13-8-10-21-11-9-13)12-16(17)19(25)22-14-4-2-1-3-5-14;/h1-7,12-13,21H,8-11H2,(H,22,25)(H,23,24);1H
InChIKeyRHAFYAKSSFWWGM-UHFFFAOYSA-N
XLogP3.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633632
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
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5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride
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CID 65019289
2-chloro-5-(cycloheptanecarbonylamino)benzoic acid
CID 62587194
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119300266
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305471
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119326813) is N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1)c1cc(NC(=O)C2CCNCC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is RHAFYAKSSFWWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2.ClH/c20-17-7-6-15(23-18(24)13-8-10-21-11-9-13)12-16(17)19(25)22-14-4-2-1-3-5-14;/h1-7,12-13,21H,8-11H2,(H,22,25)(H,23,24);1H.
What are the key properties of N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 394.30 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119326813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).