3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one

C16H22N2O3 — CID 110025296

IUPAC3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-13-15(20)17-9-10-18(13)14(19)11-16(2,21)12-7-5-4-6-8-12/h4-8,13,21H,3,9-11H2,1-2H3,(H,17,20)
InChIKeyMMUKHWIGIQVHST-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.02
Rot. Bonds4

About 3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one

3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one (PubChem CID 110025296) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one
PubChem CID110025296
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-13-15(20)17-9-10-18(13)14(19)11-16(2,21)12-7-5-4-6-8-12/h4-8,13,21H,3,9-11H2,1-2H3,(H,17,20)
InChIKeyMMUKHWIGIQVHST-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 125435737
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493
1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325275
4-[3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119184179
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one
CID 63602232
3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one
CID 63600480
3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
CID 63600642
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
3-[2-[(2S)-2-ethyl-3-oxo-1,4-diazepan-1-yl]-2-oxoethyl]-2H-isoquinolin-1-one
CID 136587024
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one (CID 110025296) is 3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of 3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one?
The InChIKey is MMUKHWIGIQVHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-13-15(20)17-9-10-18(13)14(19)11-16(2,21)12-7-5-4-6-8-12/h4-8,13,21H,3,9-11H2,1-2H3,(H,17,20).
What are the key properties of 3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one?
3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one is sourced from PubChem (CID 110025296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).