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

C21H26N2O2 — CID 6465271

IUPAC2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-25-20-10-6-5-9-19(20)17-21(24)23-15-13-22(14-16-23)12-11-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3
InChIKeyDRWUEIKSLAWXTF-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.62
Rot. Bonds6

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

2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 6465271) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
PubChem CID6465271
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-25-20-10-6-5-9-19(20)17-21(24)23-15-13-22(14-16-23)12-11-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3
InChIKeyDRWUEIKSLAWXTF-UHFFFAOYSA-N
XLogP2.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2802386
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CID 669620
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone (CID 6465271) is 2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is DRWUEIKSLAWXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-10-6-5-9-19(20)17-21(24)23-15-13-22(14-16-23)12-11-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 338.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 6465271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).