4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one

C18H26N2O3 — CID 91786581

IUPAC4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one
SMILESCC(C)CC(O)C(=O)N1CCN(CCc2ccccc2)C(=O)C1
InChIInChI=1S/C18H26N2O3/c1-14(2)12-16(21)18(23)20-11-10-19(17(22)13-20)9-8-15-6-4-3-5-7-15/h3-7,14,16,21H,8-13H2,1-2H3
InChIKeyLXHXIRZQHLUYNP-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.31
Rot. Bonds6

About 4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one

4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one (PubChem CID 91786581) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one
PubChem CID91786581
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one
SMILESCC(C)CC(O)C(=O)N1CCN(CCc2ccccc2)C(=O)C1
InChIInChI=1S/C18H26N2O3/c1-14(2)12-16(21)18(23)20-11-10-19(17(22)13-20)9-8-15-6-4-3-5-7-15/h3-7,14,16,21H,8-13H2,1-2H3
InChIKeyLXHXIRZQHLUYNP-UHFFFAOYSA-N
XLogP1.31
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one
CID 70710923
4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one
CID 29259304
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide
CID 119060645
4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one
CID 91771683
3-oxo-4-(2-phenylethyl)-N-(3-pyrrol-1-ylpropyl)piperazine-1-carboxamide
CID 122565144
4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one
CID 110708994
(2R)-2-(3-oxo-4-propyl-1,4-diazepane-1-carbonyl)-4-phenylbutanenitrile
CID 124847750
sodium;tert-butyl 3-oxo-4-(3-phenylpropyl)piperazine-1-carboxylate;hydride
CID 23682953
4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 95870160
4-benzyl-3-oxopiperazine-1-carboxylic acid
CID 68915236
4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide
CID 173259120
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one?
The IUPAC name of 4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one (CID 91786581) is 4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one.
What is the SMILES notation for 4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one?
The canonical SMILES for 4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one is CC(C)CC(O)C(=O)N1CCN(CCc2ccccc2)C(=O)C1.
What is the InChIKey of 4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one?
The InChIKey is LXHXIRZQHLUYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14(2)12-16(21)18(23)20-11-10-19(17(22)13-20)9-8-15-6-4-3-5-7-15/h3-7,14,16,21H,8-13H2,1-2H3.
What are the key properties of 4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one?
4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one has a molecular weight of 318.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one is sourced from PubChem (CID 91786581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).