3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one

C23H28N2O3 — CID 131941063

IUPAC3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-4-10-21-23(27)24(2)15-16-25(21)22(26)19-13-11-18(12-14-19)17-28-20-8-6-5-7-9-20/h5-9,11-14,21H,3-4,10,15-17H2,1-2H3
InChIKeyRAAUVZRUYNDPJI-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.74
Rot. Bonds7

About 3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one

3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one (PubChem CID 131941063) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one
PubChem CID131941063
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-4-10-21-23(27)24(2)15-16-25(21)22(26)19-13-11-18(12-14-19)17-28-20-8-6-5-7-9-20/h5-9,11-14,21H,3-4,10,15-17H2,1-2H3
InChIKeyRAAUVZRUYNDPJI-UHFFFAOYSA-N
XLogP3.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
CID 131897843
4-(2-anilinopyrimidine-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70778714
(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377
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
4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70756865
3-butyl-1-methyl-4-[4-(1H-1,2,4-triazol-5-yl)benzoyl]piperazin-2-one
CID 70745000
(3R)-3-butyl-4-[4-(5-methoxy-3-pyridinyl)benzoyl]-1-methylpiperazin-2-one
CID 126428549
2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
CID 110284310
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521
2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide
CID 70737300
3-butyl-1-methyl-4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-2-one
CID 90647875

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one?
The IUPAC name of 3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one (CID 131941063) is 3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one.
What is the SMILES notation for 3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one?
The canonical SMILES for 3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one is CCCCC1C(=O)N(C)CCN1C(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one?
The InChIKey is RAAUVZRUYNDPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-4-10-21-23(27)24(2)15-16-25(21)22(26)19-13-11-18(12-14-19)17-28-20-8-6-5-7-9-20/h5-9,11-14,21H,3-4,10,15-17H2,1-2H3.
What are the key properties of 3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one?
3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one is sourced from PubChem (CID 131941063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).