1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one

C17H23FN2O3 — CID 70710923

IUPAC1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one
SMILESCC(C)CC(O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1
InChIInChI=1S/C17H23FN2O3/c1-12(2)8-15(21)17(23)20-7-6-19(16(22)11-20)10-13-4-3-5-14(18)9-13/h3-5,9,12,15,21H,6-8,10-11H2,1-2H3
InChIKeyRJHWRQAAZXTVQC-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.40
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one

1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one (PubChem CID 70710923) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one
PubChem CID70710923
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one
SMILESCC(C)CC(O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1
InChIInChI=1S/C17H23FN2O3/c1-12(2)8-15(21)17(23)20-7-6-19(16(22)11-20)10-13-4-3-5-14(18)9-13/h3-5,9,12,15,21H,6-8,10-11H2,1-2H3
InChIKeyRJHWRQAAZXTVQC-UHFFFAOYSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-amino-2-(4-methylphenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120668862
4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one
CID 91786581
4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 95870160
4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 119803556
4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 166358962
4-[(3-fluorophenyl)methyl]-1-(2-methoxy-2-phenylacetyl)-1,4-diazepan-5-one
CID 45182359
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022
4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 70782108
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
4-[[4-[(3-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023384
4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70753862
4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
CID 110708115

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one (CID 70710923) is 1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one is CC(C)CC(O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one?
The InChIKey is RJHWRQAAZXTVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12(2)8-15(21)17(23)20-7-6-19(16(22)11-20)10-13-4-3-5-14(18)9-13/h3-5,9,12,15,21H,6-8,10-11H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one?
1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one has a molecular weight of 322.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one is sourced from PubChem (CID 70710923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).