2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide

C21H21ClN2O3 — CID 56901095

IUPAC2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide
SMILESCc1cc(Cl)ccc1C(=O)C1CCCN(C(=O)C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H21ClN2O3/c1-14-12-16(22)9-10-18(14)19(25)15-6-5-11-24(13-15)21(27)20(26)23-17-7-3-2-4-8-17/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,23,26)
InChIKeyMWDHQIVQGSHTQT-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.71
Rot. Bonds3

About 2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide

2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide (PubChem CID 56901095) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide
PubChem CID56901095
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide
SMILESCc1cc(Cl)ccc1C(=O)C1CCCN(C(=O)C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H21ClN2O3/c1-14-12-16(22)9-10-18(14)19(25)15-6-5-11-24(13-15)21(27)20(26)23-17-7-3-2-4-8-17/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,23,26)
InChIKeyMWDHQIVQGSHTQT-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 26407394
2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 47335488
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 42305900
N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
N-(3-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335785
(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone
CID 110289382
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide (CID 56901095) is 2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide is Cc1cc(Cl)ccc1C(=O)C1CCCN(C(=O)C(=O)Nc2ccccc2)C1.
What is the InChIKey of 2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide?
The InChIKey is MWDHQIVQGSHTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-14-12-16(22)9-10-18(14)19(25)15-6-5-11-24(13-15)21(27)20(26)23-17-7-3-2-4-8-17/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,23,26).
What are the key properties of 2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide?
2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide has a molecular weight of 384.86 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide is sourced from PubChem (CID 56901095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).