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

C19H22N2O2 — CID 110109133

IUPAC2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCNCC2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-17-9-7-15(8-10-17)13-19(22)21-12-11-20-14-18(21)16-5-3-2-4-6-16/h2-10,18,20H,11-14H2,1H3
InChIKeyFQXAHPGYZZWMPO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.41
Rot. Bonds4

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

2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone (PubChem CID 110109133) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
PubChem CID110109133
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCNCC2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-17-9-7-15(8-10-17)13-19(22)21-12-11-20-14-18(21)16-5-3-2-4-6-16/h2-10,18,20H,11-14H2,1H3
InChIKeyFQXAHPGYZZWMPO-UHFFFAOYSA-N
XLogP2.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 125026813
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
CID 110481821
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
1-(2-phenylpiperazin-1-yl)butane-1,3-dione
CID 110477449
1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 125022040
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 120737651
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone (CID 110109133) is 2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone is COc1ccc(CC(=O)N2CCNCC2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone?
The InChIKey is FQXAHPGYZZWMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-17-9-7-15(8-10-17)13-19(22)21-12-11-20-14-18(21)16-5-3-2-4-6-16/h2-10,18,20H,11-14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone?
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone has a molecular weight of 310.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110109133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).