1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide

C20H21ClN2O3 — CID 9495612

IUPAC1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(O)c1
InChIInChI=1S/C20H21ClN2O3/c1-13-2-7-17(18(24)12-13)22-19(25)14-8-10-23(11-9-14)20(26)15-3-5-16(21)6-4-15/h2-7,12,14,24H,8-11H2,1H3,(H,22,25)
InChIKeyYBHRVRCQCKCLCG-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.84
Rot. Bonds3

About 1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 9495612) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
PubChem CID9495612
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(O)c1
InChIInChI=1S/C20H21ClN2O3/c1-13-2-7-17(18(24)12-13)22-19(25)14-8-10-23(11-9-14)20(26)15-3-5-16(21)6-4-15/h2-7,12,14,24H,8-11H2,1H3,(H,22,25)
InChIKeyYBHRVRCQCKCLCG-UHFFFAOYSA-N
XLogP3.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119229
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007275
N-(4-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 126058566
N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119279
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007278

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide (CID 9495612) is 1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(O)c1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is YBHRVRCQCKCLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13-2-7-17(18(24)12-13)22-19(25)14-8-10-23(11-9-14)20(26)15-3-5-16(21)6-4-15/h2-7,12,14,24H,8-11H2,1H3,(H,22,25).
What are the key properties of 1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 9495612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).