2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

C25H33ClN4O2 — CID 30649023

IUPAC2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)CN3CCN(CCOc4ccc(Cl)cc4)CC3)CC2)c1
InChIInChI=1S/C25H33ClN4O2/c1-21-3-2-4-23(19-21)29-13-15-30(16-14-29)25(31)20-28-11-9-27(10-12-28)17-18-32-24-7-5-22(26)6-8-24/h2-8,19H,9-18,20H2,1H3
InChIKeyMKXUSCKGNHHNCU-UHFFFAOYSA-N
MW457.02 g/mol
LogP2.99
Rot. Bonds7

About 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 30649023) has the molecular formula C25H33ClN4O2 and a molecular weight of 457.02 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID30649023
Molecular FormulaC25H33ClN4O2
Molecular Weight457.02 g/mol
Exact Mass456.23
IUPAC Name2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)CN3CCN(CCOc4ccc(Cl)cc4)CC3)CC2)c1
InChIInChI=1S/C25H33ClN4O2/c1-21-3-2-4-23(19-21)29-13-15-30(16-14-29)25(31)20-28-11-9-27(10-12-28)17-18-32-24-7-5-22(26)6-8-24/h2-8,19H,9-18,20H2,1H3
InChIKeyMKXUSCKGNHHNCU-UHFFFAOYSA-N
XLogP2.99
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.02
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone 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

1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120422
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
2-(4-chloro-2-methylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120423
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
(3-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638153
2-[4-[5-[4-(4-chlorophenoxy)phenoxy]pentyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 24994317
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9348757

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 30649023) is 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)CN3CCN(CCOc4ccc(Cl)cc4)CC3)CC2)c1.
What is the InChIKey of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is MKXUSCKGNHHNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O2/c1-21-3-2-4-23(19-21)29-13-15-30(16-14-29)25(31)20-28-11-9-27(10-12-28)17-18-32-24-7-5-22(26)6-8-24/h2-8,19H,9-18,20H2,1H3.
What are the key properties of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 457.02 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 30649023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).