1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide

C21H24N2O2 — CID 26462642

IUPAC1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-16-7-9-17(10-8-16)15-20(24)23-13-11-18(12-14-23)21(25)22-19-5-3-2-4-6-19/h2-10,18H,11-15H2,1H3,(H,22,25)
InChIKeyDDUCPYZNTNURFL-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.41
Rot. Bonds4

About 1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 26462642) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID26462642
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-16-7-9-17(10-8-16)15-20(24)23-13-11-18(12-14-23)21(25)22-19-5-3-2-4-6-19/h2-10,18H,11-15H2,1H3,(H,22,25)
InChIKeyDDUCPYZNTNURFL-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[1-[2-(4-methylphenyl)acetyl]piperidine-4-carbonyl]amino]benzoate
CID 113007991
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 46472669
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006759
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008337
1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006490
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008428

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide (CID 26462642) is 1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide is Cc1ccc(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is DDUCPYZNTNURFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-7-9-17(10-8-16)15-20(24)23-13-11-18(12-14-23)21(25)22-19-5-3-2-4-6-19/h2-10,18H,11-15H2,1H3,(H,22,25).
What are the key properties of 1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 26462642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).