1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide

C22H26N2O2 — CID 113004083

IUPAC1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NC(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-8-10-20(11-9-16)22(26)24-14-12-19(13-15-24)21(25)23-17(2)18-6-4-3-5-7-18/h3-11,17,19H,12-15H2,1-2H3,(H,23,25)
InChIKeyKHUCKLNYSOBKFD-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide

1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 113004083) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID113004083
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NC(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-8-10-20(11-9-16)22(26)24-14-12-19(13-15-24)21(25)23-17(2)18-6-4-3-5-7-18/h3-11,17,19H,12-15H2,1-2H3,(H,23,25)
InChIKeyKHUCKLNYSOBKFD-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 94794763
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 131896032
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 35263116
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
N-[1-(4-propan-2-ylphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43055424
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43000360

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide (CID 113004083) is 1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)NC(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is KHUCKLNYSOBKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-8-10-20(11-9-16)22(26)24-14-12-19(13-15-24)21(25)23-17(2)18-6-4-3-5-7-18/h3-11,17,19H,12-15H2,1-2H3,(H,23,25).
What are the key properties of 1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).