N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide

C13H16ClN3O2 — CID 2955954

IUPACN-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESCc1ccc(NC(=O)CC2NCCNC2=O)cc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-8-2-3-9(6-10(8)14)17-12(18)7-11-13(19)16-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyVWESHPGKQNJWKQ-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.07
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide (PubChem CID 2955954) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
PubChem CID2955954
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESCc1ccc(NC(=O)CC2NCCNC2=O)cc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-8-2-3-9(6-10(8)14)17-12(18)7-11-13(19)16-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyVWESHPGKQNJWKQ-UHFFFAOYSA-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-4-methylphenyl)-2-(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

Nbd-556
CID 1570601
N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CID 2874849
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 883553
1-[3-(3-Chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 883576
N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
N-(3-chloro-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 237729
N-(3-chloro-4-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892262
1-allyl-N-(3-chloro-4-methylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486112
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
CID 4324124
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide (CID 2955954) is N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide is Cc1ccc(NC(=O)CC2NCCNC2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The InChIKey is VWESHPGKQNJWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-8-2-3-9(6-10(8)14)17-12(18)7-11-13(19)16-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(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-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 2955954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).