1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide

C20H31N3O2 — CID 119297550

IUPAC1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-3-4-12-22(2)19(24)17-10-13-23(14-11-17)20(25)18(21)15-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15,21H2,1-2H3
InChIKeyFPIWAPFDAYGSTG-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.05
Rot. Bonds7

About 1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide

1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide (PubChem CID 119297550) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide
PubChem CID119297550
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-3-4-12-22(2)19(24)17-10-13-23(14-11-17)20(25)18(21)15-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15,21H2,1-2H3
InChIKeyFPIWAPFDAYGSTG-UHFFFAOYSA-N
XLogP2.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-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-butyl-1-[2-(2-chlorophenyl)sulfanylpropanoyl]-N-methylpiperidine-4-carboxamide
CID 55949392
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119272890
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181833
N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005685
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide (CID 119297550) is 1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)C(N)Cc2ccccc2)CC1.
What is the InChIKey of 1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide?
The InChIKey is FPIWAPFDAYGSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-4-12-22(2)19(24)17-10-13-23(14-11-17)20(25)18(21)15-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15,21H2,1-2H3.
What are the key properties of 1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide?
1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 119297550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).