N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide

C22H26N2O2 — CID 113006448

IUPACN-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1C
InChIInChI=1S/C22H26N2O2/c1-16-8-9-20(14-17(16)2)23-22(26)19-10-12-24(13-11-19)21(25)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyLRIDEBAJVSUPEJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.72
Rot. Bonds4

About N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide

N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide (PubChem CID 113006448) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
PubChem CID113006448
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1C
InChIInChI=1S/C22H26N2O2/c1-16-8-9-20(14-17(16)2)23-22(26)19-10-12-24(13-11-19)21(25)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyLRIDEBAJVSUPEJ-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

Analyze N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113006432
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006744
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006911
N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006994
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008337
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide (CID 113006448) is N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The InChIKey is LRIDEBAJVSUPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-8-9-20(14-17(16)2)23-22(26)19-10-12-24(13-11-19)21(25)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)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 N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).