N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride

C20H24ClN3O3 — CID 119265973

IUPACN-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-26-16-10-8-15(9-11-16)22-20(25)17-6-2-3-7-18(17)23-19(24)14-5-4-12-21-13-14;/h2-3,6-11,14,21H,4-5,12-13H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyBVFSKJRDBHQCIR-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.31
Rot. Bonds5

About N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride

N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119265973) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119265973
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-26-16-10-8-15(9-11-16)22-20(25)17-6-2-3-7-18(17)23-19(24)14-5-4-12-21-13-14;/h2-3,6-11,14,21H,4-5,12-13H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyBVFSKJRDBHQCIR-UHFFFAOYSA-N
XLogP3.31
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982067
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
N-[2-(phenoxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119299182
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595
1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17153136
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 119309115

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride (CID 119265973) is N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride is COc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is BVFSKJRDBHQCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.ClH/c1-26-16-10-8-15(9-11-16)22-20(25)17-6-2-3-7-18(17)23-19(24)14-5-4-12-21-13-14;/h2-3,6-11,14,21H,4-5,12-13H2,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride?
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 389.88 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119265973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).