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

C20H24N2O2 — CID 110602055

IUPAC[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
SMILESCOc1cccc(CCN2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-24-19-9-5-6-17(16-19)10-11-21-12-14-22(15-13-21)20(23)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3
InChIKeyZAIBZWSQPXLSQV-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.70
Rot. Bonds5

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

[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone (PubChem CID 110602055) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
PubChem CID110602055
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
SMILESCOc1cccc(CCN2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-24-19-9-5-6-17(16-19)10-11-21-12-14-22(15-13-21)20(23)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3
InChIKeyZAIBZWSQPXLSQV-UHFFFAOYSA-N
XLogP2.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110412308
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109366
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55719269
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046103
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone (CID 110602055) is [4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone is COc1cccc(CCN2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of [4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is ZAIBZWSQPXLSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-9-5-6-17(16-19)10-11-21-12-14-22(15-13-21)20(23)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3.
What are the key properties of [4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone?
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 324.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 110602055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).