N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide

C22H28N2O — CID 17152438

IUPACN-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-3-17(2)20-11-7-8-12-21(20)23-22(25)18-13-15-24(16-14-18)19-9-5-4-6-10-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,23,25)
InChIKeyYTRKOKARYNLQST-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.06
Rot. Bonds5

About N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide

N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide (PubChem CID 17152438) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
PubChem CID17152438
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-3-17(2)20-11-7-8-12-21(20)23-22(25)18-13-15-24(16-14-18)19-9-5-4-6-10-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,23,25)
InChIKeyYTRKOKARYNLQST-UHFFFAOYSA-N
XLogP5.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-butan-2-ylphenyl)-1-phenylpiperidine-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-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
CID 17018975
N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152752
N-(2-butan-2-ylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118726
N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119279
N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080589
N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497480
N-[2-[(2R)-butan-2-yl]phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 7449934
1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 17152506
(1R,2S,3R,4R)-3-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98140529
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337
N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17119046

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide (CID 17152438) is N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide is CCC(C)c1ccccc1NC(=O)C1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide?
The InChIKey is YTRKOKARYNLQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-17(2)20-11-7-8-12-21(20)23-22(25)18-13-15-24(16-14-18)19-9-5-4-6-10-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,23,25).
What are the key properties of N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide?
N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17152438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).