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

C25H32N2O3 — CID 10092881

IUPAC1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one
SMILESCOc1cccc(CN2CCN(CC(=O)C(O)(c3ccccc3)C3CCC3)CC2)c1
InChIInChI=1S/C25H32N2O3/c1-30-23-12-5-7-20(17-23)18-26-13-15-27(16-14-26)19-24(28)25(29,22-10-6-11-22)21-8-3-2-4-9-21/h2-5,7-9,12,17,22,29H,6,10-11,13-16,18-19H2,1H3
InChIKeyZGPCGQIOIPOEKW-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.07
Rot. Bonds8

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

1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one (PubChem CID 10092881) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one
PubChem CID10092881
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one
SMILESCOc1cccc(CN2CCN(CC(=O)C(O)(c3ccccc3)C3CCC3)CC2)c1
InChIInChI=1S/C25H32N2O3/c1-30-23-12-5-7-20(17-23)18-26-13-15-27(16-14-26)19-24(28)25(29,22-10-6-11-22)21-8-3-2-4-9-21/h2-5,7-9,12,17,22,29H,6,10-11,13-16,18-19H2,1H3
InChIKeyZGPCGQIOIPOEKW-UHFFFAOYSA-N
XLogP3.07
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclobutyl-1-hydroxy-1-phenylpropan-2-one
CID 10093716
1-Cyclobutyl-1-hydroxy-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one
CID 10409196
1-Cyclobutyl-1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-one
CID 10046168
[3-[(Dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 156703336
1-[3-[(Dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 167321707
1-[3-[(Dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-phenylethanone
CID 167321821
1-[3-(4-Benzylpiperazin-1-yl)-1-(3-methoxyphenyl)propyl]cyclohexan-1-ol
CID 21241509
[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenyltetrahydro-1(2H)-pyridinyl](3-methoxyphenyl)methanone
CID 91653986
[3-(Dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 156601745
(3-Fluoro-4-methylphenyl)[4-(3-methoxybenzyl)piperazin-1-yl]acetic acid
CID 72852333
(2-Fluoro-3-methylphenyl)[4-(3-methoxybenzyl)piperazin-1-yl]acetic acid
CID 72863716
(2-Fluoro-4-methylphenyl)[4-(3-methoxybenzyl)piperazin-1-yl]acetic acid
CID 72921339

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one?
The IUPAC name of 1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one (CID 10092881) is 1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one.
What is the SMILES notation for 1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one?
The canonical SMILES for 1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one is COc1cccc(CN2CCN(CC(=O)C(O)(c3ccccc3)C3CCC3)CC2)c1.
What is the InChIKey of 1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one?
The InChIKey is ZGPCGQIOIPOEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-30-23-12-5-7-20(17-23)18-26-13-15-27(16-14-26)19-24(28)25(29,22-10-6-11-22)21-8-3-2-4-9-21/h2-5,7-9,12,17,22,29H,6,10-11,13-16,18-19H2,1H3.
What are the key properties of 1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one?
1-cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one has a molecular weight of 408.54 g/mol, XLogP of 3.07, 8 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-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one is sourced from PubChem (CID 10092881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).