4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one

C15H22N2O3 — CID 70737370

IUPAC4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one
SMILESCCC(O)CN1CCN(c2cccc(OC)c2)C(=O)C1
InChIInChI=1S/C15H22N2O3/c1-3-13(18)10-16-7-8-17(15(19)11-16)12-5-4-6-14(9-12)20-2/h4-6,9,13,18H,3,7-8,10-11H2,1-2H3
InChIKeyFPUJJWOFDVYMOL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.11
Rot. Bonds5

About 4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one

4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one (PubChem CID 70737370) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one
PubChem CID70737370
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one
SMILESCCC(O)CN1CCN(c2cccc(OC)c2)C(=O)C1
InChIInChI=1S/C15H22N2O3/c1-3-13(18)10-16-7-8-17(15(19)11-16)12-5-4-6-14(9-12)20-2/h4-6,9,13,18H,3,7-8,10-11H2,1-2H3
InChIKeyFPUJJWOFDVYMOL-UHFFFAOYSA-N
XLogP1.11
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one
CID 124755306
N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide
CID 91839835
1-(3-methoxyphenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-2-one
CID 42514944
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
1-(3-aminophenyl)-4-ethylpiperazin-2-one
CID 67479009
4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one
CID 130841155
4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 70739233
4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96576006
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 737489
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one (CID 70737370) is 4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one is CCC(O)CN1CCN(c2cccc(OC)c2)C(=O)C1.
What is the InChIKey of 4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one?
The InChIKey is FPUJJWOFDVYMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-13(18)10-16-7-8-17(15(19)11-16)12-5-4-6-14(9-12)20-2/h4-6,9,13,18H,3,7-8,10-11H2,1-2H3.
What are the key properties of 4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one?
4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 70737370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).