1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide

C19H28N2O2 — CID 47984523

IUPAC1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)18(23)21-13-7-10-16(14-21)17(22)20-12-11-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,20,22)
InChIKeyVNHHUYHNKZKQIC-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.63
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 47984523) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID47984523
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)18(23)21-13-7-10-16(14-21)17(22)20-12-11-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,20,22)
InChIKeyVNHHUYHNKZKQIC-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-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-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45195553
(3R)-N-(3-anilinopropyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 95307693
1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide
CID 111471679
(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 95149532
1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 47989978
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47989411
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide (CID 47984523) is 1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCCC(C(=O)NCCc2ccccc2)C1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is VNHHUYHNKZKQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)18(23)21-13-7-10-16(14-21)17(22)20-12-11-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,20,22).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 47984523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).