2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide

C13H18ClN3O — CID 142785116

IUPAC2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide
SMILESCN1CCN(CC(N)=O)C(c2ccccc2Cl)C1
InChIInChI=1S/C13H18ClN3O/c1-16-6-7-17(9-13(15)18)12(8-16)10-4-2-3-5-11(10)14/h2-5,12H,6-9H2,1H3,(H2,15,18)
InChIKeyUDCDPVKHWWIOAY-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.11
Rot. Bonds3

About 2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide

2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide (PubChem CID 142785116) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide
PubChem CID142785116
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide
SMILESCN1CCN(CC(N)=O)C(c2ccccc2Cl)C1
InChIInChI=1S/C13H18ClN3O/c1-16-6-7-17(9-13(15)18)12(8-16)10-4-2-3-5-11(10)14/h2-5,12H,6-9H2,1H3,(H2,15,18)
InChIKeyUDCDPVKHWWIOAY-UHFFFAOYSA-N
XLogP1.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-chlorophenyl)-4-methylpiperazin-1-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide (CID 142785116) is 2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide is CN1CCN(CC(N)=O)C(c2ccccc2Cl)C1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide?
The InChIKey is UDCDPVKHWWIOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-16-6-7-17(9-13(15)18)12(8-16)10-4-2-3-5-11(10)14/h2-5,12H,6-9H2,1H3,(H2,15,18).
What are the key properties of 2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide?
2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide has a molecular weight of 267.76 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-4-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 142785116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).