4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one

C16H22N2O2 — CID 70710183

IUPAC4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
SMILESCCC(CC)C(=O)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C16H22N2O2/c1-3-13(4-2)16(20)17-10-11-18(15(19)12-17)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyYERJBZWOEBXZIO-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.30
Rot. Bonds4

About 4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one

4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one (PubChem CID 70710183) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
PubChem CID70710183
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
SMILESCCC(CC)C(=O)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C16H22N2O2/c1-3-13(4-2)16(20)17-10-11-18(15(19)12-17)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyYERJBZWOEBXZIO-UHFFFAOYSA-N
XLogP2.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide
CID 78087226
N-[(2S)-4-methylsulfanyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)butan-2-yl]acetamide
CID 70751926
4-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-1-phenylpiperazin-2-one
CID 96574547
1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one
CID 96578207
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
CID 1092017
2-[2-oxo-4-(2-propylpentanoyl)piperazin-1-yl]benzonitrile
CID 70724790
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 43461708
4-pentanoyl-1-phenyl-1,4-diazepan-2-one
CID 110873832
4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 96574415
4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one
CID 70755852
3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 70776360

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one?
The IUPAC name of 4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one (CID 70710183) is 4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one?
The canonical SMILES for 4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one is CCC(CC)C(=O)N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one?
The InChIKey is YERJBZWOEBXZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-13(4-2)16(20)17-10-11-18(15(19)12-17)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3.
What are the key properties of 4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one?
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one is sourced from PubChem (CID 70710183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).