3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C20H24N2O2 — CID 110755813

IUPAC3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-6-5-7-17(19)11-12-20(23)22-15-13-21(14-16-22)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3
InChIKeyASCWPRQKLWBLNZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.98
Rot. Bonds5

About 3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 110755813) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID110755813
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-6-5-7-17(19)11-12-20(23)22-15-13-21(14-16-22)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3
InChIKeyASCWPRQKLWBLNZ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 136537775
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111339898
(2S)-4-[3-(2-methoxyphenyl)propanoyl]-1-methylpiperazine-2-carboxylic acid
CID 95194118
3-(2-methoxyphenyl)-1-[4-(3-oxo-3-phenylpropyl)piperazin-1-yl]propan-1-one
CID 110398643
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 78775420
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 110755813) is 3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is COc1ccccc1CCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is ASCWPRQKLWBLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-10-6-5-7-17(19)11-12-20(23)22-15-13-21(14-16-22)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 324.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110755813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).