(3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide

C15H19Cl2N3O2 — CID 99581180

IUPAC(3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide
SMILESCc1cc(Cl)c(NC(=O)N2CCC[C@H](CC(N)=O)C2)cc1Cl
InChIInChI=1S/C15H19Cl2N3O2/c1-9-5-12(17)13(7-11(9)16)19-15(22)20-4-2-3-10(8-20)6-14(18)21/h5,7,10H,2-4,6,8H2,1H3,(H2,18,21)(H,19,22)/t10-/m1/s1
InChIKeyXZKKBYMDDSIUCK-SNVBAGLBSA-N
MW344.24 g/mol
LogP3.42
Rot. Bonds3

About (3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide

(3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide (PubChem CID 99581180) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is (3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide
PubChem CID99581180
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name(3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide
SMILESCc1cc(Cl)c(NC(=O)N2CCC[C@H](CC(N)=O)C2)cc1Cl
InChIInChI=1S/C15H19Cl2N3O2/c1-9-5-12(17)13(7-11(9)16)19-15(22)20-4-2-3-10(8-20)6-14(18)21/h5,7,10H,2-4,6,8H2,1H3,(H2,18,21)(H,19,22)/t10-/m1/s1
InChIKeyXZKKBYMDDSIUCK-SNVBAGLBSA-N
XLogP3.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)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-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 99715459
(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide
CID 99584331
2-[1-[(2-chloro-4-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691149
2-[1-[(4-bromo-2-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691337
2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811
3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide
CID 86799909
3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 75423837
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
(3S)-3-(aminomethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 165430451
2-[(3S)-1-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl]piperidin-3-yl]acetamide
CID 95786455
3-[1-[(4-carbamoyl-2-methylphenyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 146096658
3-(2-amino-2-oxoethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 71865685

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide (CID 99581180) is (3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide is Cc1cc(Cl)c(NC(=O)N2CCC[C@H](CC(N)=O)C2)cc1Cl.
What is the InChIKey of (3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is XZKKBYMDDSIUCK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-9-5-12(17)13(7-11(9)16)19-15(22)20-4-2-3-10(8-20)6-14(18)21/h5,7,10H,2-4,6,8H2,1H3,(H2,18,21)(H,19,22)/t10-/m1/s1.
What are the key properties of (3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide?
(3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 344.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 99581180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).