1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide

C18H27N3O2 — CID 56815640

IUPAC1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(C(C(N)=O)c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-13(2)11-20-18(23)15-9-6-10-21(12-15)16(17(19)22)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyNAMVGDKNCJWSKW-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.70
Rot. Bonds6

About 1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide

1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 56815640) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID56815640
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(C(C(N)=O)c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-13(2)11-20-18(23)15-9-6-10-21(12-15)16(17(19)22)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyNAMVGDKNCJWSKW-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 94378645
N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 119916721
2-(3-ethoxypiperidin-1-yl)-2-phenylacetamide
CID 47411464
(2S)-2-phenyl-2-[(3R)-3-propoxypiperidin-1-yl]acetamide
CID 94215510
(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide
CID 94446876
(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
CID 129430805
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43918490
(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085826
(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-phenylacetamide
CID 98752121
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
1-benzhydryl-N-octylpiperidine-3-carboxamide
CID 58022649

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide (CID 56815640) is 1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(C(C(N)=O)c2ccccc2)C1.
What is the InChIKey of 1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is NAMVGDKNCJWSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)11-20-18(23)15-9-6-10-21(12-15)16(17(19)22)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide?
1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 56815640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).