1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone

C19H21ClN2O2 — CID 690540

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-24-18-8-3-2-5-15(18)13-19(23)22-11-9-21(10-12-22)17-7-4-6-16(20)14-17/h2-8,14H,9-13H2,1H3
InChIKeyGWDCLMXMQDLSNX-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.24
Rot. Bonds4

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 690540) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID690540
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-24-18-8-3-2-5-15(18)13-19(23)22-11-9-21(10-12-22)17-7-4-6-16(20)14-17/h2-8,14H,9-13H2,1H3
InChIKeyGWDCLMXMQDLSNX-UHFFFAOYSA-N
XLogP3.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone 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 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 690540) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is GWDCLMXMQDLSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-18-8-3-2-5-15(18)13-19(23)22-11-9-21(10-12-22)17-7-4-6-16(20)14-17/h2-8,14H,9-13H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 344.84 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 690540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).