1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide

C25H32N2O2 — CID 113005595

IUPAC1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c1-2-3-10-17-26-24(28)22-15-18-27(19-16-22)25(29)23(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,22-23H,2-3,10,15-19H2,1H3,(H,26,28)
InChIKeyMJHKTOQBSXVMAL-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.36
Rot. Bonds8

About 1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide

1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide (PubChem CID 113005595) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
PubChem CID113005595
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c1-2-3-10-17-26-24(28)22-15-18-27(19-16-22)25(29)23(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,22-23H,2-3,10,15-19H2,1H3,(H,26,28)
InChIKeyMJHKTOQBSXVMAL-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,2-diphenylacetyl)-N-pentylpiperidine-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

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide
CID 56573027
1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
1-(benzylcarbamothioyl)-N-pentylpiperidine-4-carboxamide
CID 43076523
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide
CID 39938111
1-(2,2-diphenylacetyl)-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide
CID 74824215
1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide
CID 55718088
1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38572415
1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide
CID 120667354

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide (CID 113005595) is 1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide?
The InChIKey is MJHKTOQBSXVMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-2-3-10-17-26-24(28)22-15-18-27(19-16-22)25(29)23(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,22-23H,2-3,10,15-19H2,1H3,(H,26,28).
What are the key properties of 1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide?
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 113005595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).