3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide

C18H27N3O2 — CID 75423837

IUPAC3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)N2CCCC(CC(N)=O)C2)c1
InChIInChI=1S/C18H27N3O2/c1-12-6-7-13(2)16(9-12)14(3)20-18(23)21-8-4-5-15(11-21)10-17(19)22/h6-7,9,14-15H,4-5,8,10-11H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyYMCNKEZKHSRHAW-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.66
Rot. Bonds4

About 3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide

3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 75423837) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID75423837
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)N2CCCC(CC(N)=O)C2)c1
InChIInChI=1S/C18H27N3O2/c1-12-6-7-13(2)16(9-12)14(3)20-18(23)21-8-4-5-15(11-21)10-17(19)22/h6-7,9,14-15H,4-5,8,10-11H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyYMCNKEZKHSRHAW-UHFFFAOYSA-N
XLogP2.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-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

(3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 97007462
3-(2-amino-2-oxoethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 71865685
(3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide
CID 97025766
(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 96522618
N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 56826086
4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 56784402
4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 56783182
ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 17459653
(3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide
CID 99581180
2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
(3R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 34177914

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide (CID 75423837) is 3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide is Cc1ccc(C)c(C(C)NC(=O)N2CCCC(CC(N)=O)C2)c1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is YMCNKEZKHSRHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-6-7-13(2)16(9-12)14(3)20-18(23)21-8-4-5-15(11-21)10-17(19)22/h6-7,9,14-15H,4-5,8,10-11H2,1-3H3,(H2,19,22)(H,20,23).
What are the key properties of 3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide?
3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 75423837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).