3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide

C20H22N2O2 — CID 56782455

IUPAC3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide
SMILESCc1ccccc1C1CCN(C(=O)c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C20H22N2O2/c1-14-5-2-3-8-18(14)15-9-11-22(12-10-15)20(24)17-7-4-6-16(13-17)19(21)23/h2-8,13,15H,9-12H2,1H3,(H2,21,23)
InChIKeyLIWVSWYBUXCWSH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.11
Rot. Bonds3

About 3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide

3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide (PubChem CID 56782455) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide
PubChem CID56782455
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide
SMILESCc1ccccc1C1CCN(C(=O)c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C20H22N2O2/c1-14-5-2-3-8-18(14)15-9-11-22(12-10-15)20(24)17-7-4-6-16(13-17)19(21)23/h2-8,13,15H,9-12H2,1H3,(H2,21,23)
InChIKeyLIWVSWYBUXCWSH-UHFFFAOYSA-N
XLogP3.11
TPSA63.40 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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide
CID 90380541
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
CID 158400377
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
[7-(2-methylphenyl)-1,4-thiazepan-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121163717
2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120821717
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 46569274
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 126484492
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
4-(azepane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 22001051

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide?
The IUPAC name of 3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide (CID 56782455) is 3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide.
What is the SMILES notation for 3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide?
The canonical SMILES for 3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide is Cc1ccccc1C1CCN(C(=O)c2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide?
The InChIKey is LIWVSWYBUXCWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-5-2-3-8-18(14)15-9-11-22(12-10-15)20(24)17-7-4-6-16(13-17)19(21)23/h2-8,13,15H,9-12H2,1H3,(H2,21,23).
What are the key properties of 3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide?
3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 56782455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).