1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide

C20H22N2O2 — CID 17395315

IUPAC1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
SMILESCc1ccccc1C(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H22N2O2/c1-15-8-5-6-12-18(15)20(24)22-13-7-9-16(14-22)19(23)21-17-10-3-2-4-11-17/h2-6,8,10-12,16H,7,9,13-14H2,1H3,(H,21,23)
InChIKeyNXSFYUPCWBIVFY-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.49
Rot. Bonds3

About 1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide

1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 17395315) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
PubChem CID17395315
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
SMILESCc1ccccc1C(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H22N2O2/c1-15-8-5-6-12-18(15)20(24)22-13-7-9-16(14-22)19(23)21-17-10-3-2-4-11-17/h2-6,8,10-12,16H,7,9,13-14H2,1H3,(H,21,23)
InChIKeyNXSFYUPCWBIVFY-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
1-(2-oxo-1H-pyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 16872669
1-(3-methylfuran-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43035253
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide (CID 17395315) is 1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide is Cc1ccccc1C(=O)N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is NXSFYUPCWBIVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-8-5-6-12-18(15)20(24)22-13-7-9-16(14-22)19(23)21-17-10-3-2-4-11-17/h2-6,8,10-12,16H,7,9,13-14H2,1H3,(H,21,23).
What are the key properties of 1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide?
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 17395315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).