1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide

C21H24N2O3 — CID 42865244

IUPAC1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccccc3)CN(C(C)=O)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-15(24)23-13-17(16-6-4-3-5-7-16)12-18(14-23)21(25)22-19-8-10-20(26-2)11-9-19/h3-11,17-18H,12-14H2,1-2H3,(H,22,25)
InChIKeyWLYJFMIBRZPWCC-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.29
Rot. Bonds4

About 1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide

1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 42865244) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
PubChem CID42865244
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccccc3)CN(C(C)=O)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-15(24)23-13-17(16-6-4-3-5-7-16)12-18(14-23)21(25)22-19-8-10-20(26-2)11-9-19/h3-11,17-18H,12-14H2,1-2H3,(H,22,25)
InChIKeyWLYJFMIBRZPWCC-UHFFFAOYSA-N
XLogP3.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
CID 90511634
N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868408
3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42865487
(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996083
N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868424
N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868433
(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994736
N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868400
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
1-[(2-chlorophenyl)methyl]-5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067702
1-(1-acetylpiperidin-4-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42693365
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide (CID 42865244) is 1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CC(c3ccccc3)CN(C(C)=O)C2)cc1.
What is the InChIKey of 1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is WLYJFMIBRZPWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(24)23-13-17(16-6-4-3-5-7-16)12-18(14-23)21(25)22-19-8-10-20(26-2)11-9-19/h3-11,17-18H,12-14H2,1-2H3,(H,22,25).
What are the key properties of 1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide?
1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42865244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).