(3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide

C20H27N5O2 — CID 92614379

IUPAC(3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)n2C)cc1C
InChIInChI=1S/C20H27N5O2/c1-13-6-7-15(9-14(13)2)17-10-22-20(24(17)3)23-19(27)16-5-4-8-25(11-16)12-18(21)26/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3,(H2,21,26)(H,22,23,27)/t16-/m1/s1
InChIKeyPVEFVCJREZIBCM-MRXNPFEDSA-N
MW369.47 g/mol
LogP1.84
Rot. Bonds5

About (3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide

(3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide (PubChem CID 92614379) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide
PubChem CID92614379
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)n2C)cc1C
InChIInChI=1S/C20H27N5O2/c1-13-6-7-15(9-14(13)2)17-10-22-20(24(17)3)23-19(27)16-5-4-8-25(11-16)12-18(21)26/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3,(H2,21,26)(H,22,23,27)/t16-/m1/s1
InChIKeyPVEFVCJREZIBCM-MRXNPFEDSA-N
XLogP1.84
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-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 (3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide (CID 92614379) is (3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide is Cc1ccc(-c2cnc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)n2C)cc1C.
What is the InChIKey of (3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide?
The InChIKey is PVEFVCJREZIBCM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13-6-7-15(9-14(13)2)17-10-22-20(24(17)3)23-19(27)16-5-4-8-25(11-16)12-18(21)26/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3,(H2,21,26)(H,22,23,27)/t16-/m1/s1.
What are the key properties of (3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide?
(3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92614379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).