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

C16H23N3O2 — CID 2106397

IUPAC1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)CN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12-2-4-13(5-3-12)10-18-15(20)11-19-8-6-14(7-9-19)16(17)21/h2-5,14H,6-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyGXRWXOLSVJGOJA-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.81
Rot. Bonds5

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

1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 2106397) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID2106397
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)CN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12-2-4-13(5-3-12)10-18-15(20)11-19-8-6-14(7-9-19)16(17)21/h2-5,14H,6-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyGXRWXOLSVJGOJA-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 2106397) is 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)CN2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is GXRWXOLSVJGOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-2-4-13(5-3-12)10-18-15(20)11-19-8-6-14(7-9-19)16(17)21/h2-5,14H,6-11H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.81, 5 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]piperidine-4-carboxamide is sourced from PubChem (CID 2106397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).