N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide

C13H16ClN3O2 — CID 900615

IUPACN-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)C[C@H]1NCCNC1=O
InChIInChI=1S/C13H16ClN3O2/c1-8-9(14)3-2-4-10(8)17-12(18)7-11-13(19)16-6-5-15-11/h2-4,11,15H,5-7H2,1H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKeyHCLQSVITHNJPCQ-LLVKDONJSA-N
MW281.74 g/mol
LogP1.07
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide (PubChem CID 900615) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
PubChem CID900615
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)C[C@H]1NCCNC1=O
InChIInChI=1S/C13H16ClN3O2/c1-8-9(14)3-2-4-10(8)17-12(18)7-11-13(19)16-6-5-15-11/h2-4,11,15H,5-7H2,1H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKeyHCLQSVITHNJPCQ-LLVKDONJSA-N
XLogP1.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide 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-[(2S,4aR,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 124757862
N-(3-chloro-2-methylphenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2989627
ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate
CID 7273597
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794658
N-(4-acetamidophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 7273614
2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 6462246
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119671783
N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide
CID 155294610
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide (CID 900615) is N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide is Cc1c(Cl)cccc1NC(=O)C[C@H]1NCCNC1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is HCLQSVITHNJPCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-8-9(14)3-2-4-10(8)17-12(18)7-11-13(19)16-6-5-15-11/h2-4,11,15H,5-7H2,1H3,(H,16,19)(H,17,18)/t11-/m1/s1.
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 281.74 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 900615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).