1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one

C24H30N2O3 — CID 10046168

IUPAC1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one
SMILESCOc1ccccc1N1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1
InChIInChI=1S/C24H30N2O3/c1-29-22-13-6-5-12-21(22)26-16-14-25(15-17-26)18-23(27)24(28,20-10-7-11-20)19-8-3-2-4-9-19/h2-6,8-9,12-13,20,28H,7,10-11,14-18H2,1H3
InChIKeyHQMBZMLZWAQMNV-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.07
Rot. Bonds7

About 1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one

1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one (PubChem CID 10046168) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one
PubChem CID10046168
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one
SMILESCOc1ccccc1N1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1
InChIInChI=1S/C24H30N2O3/c1-29-22-13-6-5-12-21(22)26-16-14-25(15-17-26)18-23(27)24(28,20-10-7-11-20)19-8-3-2-4-9-19/h2-6,8-9,12-13,20,28H,7,10-11,14-18H2,1H3
InChIKeyHQMBZMLZWAQMNV-UHFFFAOYSA-N
XLogP3.07
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
(2R)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 9803032
1-(4-Fluorophenyl)-2-(4-(2-methoxyphenyl)-1-piperazinyl)ethanone
CID 28307
4-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}benzoic acid
CID 698094
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-phenylpropan-1-one
CID 211938
1-(2-Methoxyphenyl)-4-(2-phenylbutanoyl)piperazine
CID 2904015
1-Cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one
CID 10067361
6-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-phenyl-hexan-1-one
CID 11143090
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 15786488
1-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 753037
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-1-phenylethanol
CID 16332313

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one?
The IUPAC name of 1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one (CID 10046168) is 1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one.
What is the SMILES notation for 1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one?
The canonical SMILES for 1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one is COc1ccccc1N1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one?
The InChIKey is HQMBZMLZWAQMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-29-22-13-6-5-12-21(22)26-16-14-25(15-17-26)18-23(27)24(28,20-10-7-11-20)19-8-3-2-4-9-19/h2-6,8-9,12-13,20,28H,7,10-11,14-18H2,1H3.
What are the key properties of 1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one?
1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one is sourced from PubChem (CID 10046168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).