N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide

C13H18ClN3O — CID 45032288

IUPACN-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
SMILESCc1cc(NC(=O)CN2CCNCC2)ccc1Cl
InChIInChI=1S/C13H18ClN3O/c1-10-8-11(2-3-12(10)14)16-13(18)9-17-6-4-15-5-7-17/h2-3,8,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyZFLWFFGHBLRKGT-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.49
Rot. Bonds3

About N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide

N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide (PubChem CID 45032288) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
PubChem CID45032288
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
SMILESCc1cc(NC(=O)CN2CCNCC2)ccc1Cl
InChIInChI=1S/C13H18ClN3O/c1-10-8-11(2-3-12(10)14)16-13(18)9-17-6-4-15-5-7-17/h2-3,8,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyZFLWFFGHBLRKGT-UHFFFAOYSA-N
XLogP1.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide 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

N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62833287
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide
CID 135106562
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377407
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
CID 10715191
N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide
CID 60928545
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 22194789
N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide (CID 45032288) is N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide is Cc1cc(NC(=O)CN2CCNCC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is ZFLWFFGHBLRKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-10-8-11(2-3-12(10)14)16-13(18)9-17-6-4-15-5-7-17/h2-3,8,15H,4-7,9H2,1H3,(H,16,18).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide?
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 267.76 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 45032288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).