1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone

C19H21ClN2O2 — CID 113077100

IUPAC1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-24-18-8-7-16(14-17(18)20)21-9-11-22(12-10-21)19(23)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3
InChIKeyWHUHBBFEJLPBFB-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.24
Rot. Bonds4

About 1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone

1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 113077100) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
PubChem CID113077100
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-24-18-8-7-16(14-17(18)20)21-9-11-22(12-10-21)19(23)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3
InChIKeyWHUHBBFEJLPBFB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone 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-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110767057
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 113077108
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767033
1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
2-chloro-4-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]benzonitrile
CID 133299073
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113405
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077436

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone (CID 113077100) is 1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone is COc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1Cl.
What is the InChIKey of 1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is WHUHBBFEJLPBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-18-8-7-16(14-17(18)20)21-9-11-22(12-10-21)19(23)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3.
What are the key properties of 1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone 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-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 113077100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).