3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one

C23H28N2O3 — CID 131897843

IUPAC3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C23H28N2O3/c1-4-5-9-20-23(27)24(2)15-16-25(20)22(26)18-13-11-17(12-14-18)19-8-6-7-10-21(19)28-3/h6-8,10-14,20H,4-5,9,15-16H2,1-3H3
InChIKeyOOYKOYZTTWLHFY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.84
Rot. Bonds6

About 3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one

3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one (PubChem CID 131897843) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
PubChem CID131897843
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C23H28N2O3/c1-4-5-9-20-23(27)24(2)15-16-25(20)22(26)18-13-11-17(12-14-18)19-8-6-7-10-21(19)28-3/h6-8,10-14,20H,4-5,9,15-16H2,1-3H3
InChIKeyOOYKOYZTTWLHFY-UHFFFAOYSA-N
XLogP3.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-butyl-4-[4-(5-methoxy-3-pyridinyl)benzoyl]-1-methylpiperazin-2-one
CID 126428549
3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one
CID 131941063
3-butyl-1-methyl-4-[4-(1H-1,2,4-triazol-5-yl)benzoyl]piperazin-2-one
CID 70745000
(3S)-3-butyl-1-methyl-4-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazin-2-one
CID 97207797
methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate
CID 97436839
3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
CID 118774662
3-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 70741313
(3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one
CID 97118417
(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377
4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70756865
4-(2-anilinopyrimidine-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70778714
2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 70767118

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one?
The IUPAC name of 3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one (CID 131897843) is 3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one?
The canonical SMILES for 3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one is CCCCC1C(=O)N(C)CCN1C(=O)c1ccc(-c2ccccc2OC)cc1.
What is the InChIKey of 3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one?
The InChIKey is OOYKOYZTTWLHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-5-9-20-23(27)24(2)15-16-25(20)22(26)18-13-11-17(12-14-18)19-8-6-7-10-21(19)28-3/h6-8,10-14,20H,4-5,9,15-16H2,1-3H3.
What are the key properties of 3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one?
3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 131897843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).