N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide

C18H28N2O — CID 115597355

IUPACN-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide
SMILESCC(C)(C)CCNC(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C18H28N2O/c1-17(2,3)9-14-20-16(21)18(10-12-19-13-11-18)15-7-5-4-6-8-15/h4-8,19H,9-14H2,1-3H3,(H,20,21)
InChIKeyHMHPVHCCTJEQQB-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.86
Rot. Bonds4

About N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide

N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide (PubChem CID 115597355) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide
PubChem CID115597355
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide
SMILESCC(C)(C)CCNC(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C18H28N2O/c1-17(2,3)9-14-20-16(21)18(10-12-19-13-11-18)15-7-5-4-6-8-15/h4-8,19H,9-14H2,1-3H3,(H,20,21)
InChIKeyHMHPVHCCTJEQQB-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,3-dimethylbutyl)-4-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-hydroxy-2-methylpropyl)-4-phenylpiperidine-4-carboxamide
CID 65106988
N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide
CID 124575017
N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 103307088
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
1-phenyl-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide
CID 119448297
4-phenyl-N-piperazin-1-ylpiperidine-4-carboxamide
CID 70118904
1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 119393727
(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
CID 80756050
N-(1,2,4-oxadiazol-3-ylmethyl)-4-phenylpiperidine-4-carboxamide
CID 106396970
N-(2-ethylcyclopropyl)-4-phenylpiperidine-4-carboxamide
CID 103796857
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide (CID 115597355) is N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide is CC(C)(C)CCNC(=O)C1(c2ccccc2)CCNCC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide?
The InChIKey is HMHPVHCCTJEQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2,3)9-14-20-16(21)18(10-12-19-13-11-18)15-7-5-4-6-8-15/h4-8,19H,9-14H2,1-3H3,(H,20,21).
What are the key properties of N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide?
N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 115597355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).