2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone

C19H22N2O2 — CID 783653

IUPAC2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c1-23-18-10-6-5-7-16(18)15-19(22)21-13-11-20(12-14-21)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3
InChIKeyYESUFSSBAFMIJZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.59
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 783653) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID783653
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c1-23-18-10-6-5-7-16(18)15-19(22)21-13-11-20(12-14-21)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3
InChIKeyYESUFSSBAFMIJZ-UHFFFAOYSA-N
XLogP2.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 783653) is 2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone is COc1ccccc1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is YESUFSSBAFMIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-18-10-6-5-7-16(18)15-19(22)21-13-11-20(12-14-21)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 310.40 g/mol, XLogP of 2.59, 4 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-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 783653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).