[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

C20H23ClN2O3 — CID 33323201

IUPAC[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H23ClN2O3/c1-25-17-6-4-5-16(15-17)20(24)23-11-9-22(10-12-23)13-14-26-19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3
InChIKeyYSASTLIMQSVHJQ-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.19
Rot. Bonds6

About [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 33323201) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID33323201
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H23ClN2O3/c1-25-17-6-4-5-16(15-17)20(24)23-11-9-22(10-12-23)13-14-26-19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3
InChIKeyYSASTLIMQSVHJQ-UHFFFAOYSA-N
XLogP3.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
[4-[2-(2-chlorophenoxy)ethyl]-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 78850557
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110180457
(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 119946345
[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 23905789
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55830155
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
2-chloro-N-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]benzamide
CID 1061269
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 27847337

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 33323201) is [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1.
What is the InChIKey of [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is YSASTLIMQSVHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-25-17-6-4-5-16(15-17)20(24)23-11-9-22(10-12-23)13-14-26-19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3.
What are the key properties of [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 374.87 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 33323201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).