1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide

C19H29N3O2 — CID 134046327

IUPAC1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC(=O)NCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-10-20-19(24)17-8-11-22(12-9-17)14-18(23)21-13-16-6-4-15(2)5-7-16/h4-7,17H,3,8-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyMPHARXFFADSLPT-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.85
Rot. Bonds7

About 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide

1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide (PubChem CID 134046327) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
PubChem CID134046327
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC(=O)NCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-10-20-19(24)17-8-11-22(12-9-17)14-18(23)21-13-16-6-4-15(2)5-7-16/h4-7,17H,3,8-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyMPHARXFFADSLPT-UHFFFAOYSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-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

2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 16910167
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145059
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922959
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86920153

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide (CID 134046327) is 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(CC(=O)NCc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is MPHARXFFADSLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-10-20-19(24)17-8-11-22(12-9-17)14-18(23)21-13-16-6-4-15(2)5-7-16/h4-7,17H,3,8-14H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 134046327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).