4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one

C15H17F3N2O2 — CID 94677270

IUPAC4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one
SMILESC[C@H](CC(=O)N1CCNC(=O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2/c1-10(8-14(22)20-7-6-19-13(21)9-20)11-2-4-12(5-3-11)15(16,17)18/h2-5,10H,6-9H2,1H3,(H,19,21)/t10-/m1/s1
InChIKeyHPXOQCZSZFCFGI-SNVBAGLBSA-N
MW314.31 g/mol
LogP2.16
Rot. Bonds3

About 4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one

4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one (PubChem CID 94677270) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one
PubChem CID94677270
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one
SMILESC[C@H](CC(=O)N1CCNC(=O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2/c1-10(8-14(22)20-7-6-19-13(21)9-20)11-2-4-12(5-3-11)15(16,17)18/h2-5,10H,6-9H2,1H3,(H,19,21)/t10-/m1/s1
InChIKeyHPXOQCZSZFCFGI-SNVBAGLBSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,4-diazepane-1-carboxamide
CID 95977879
1-[4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 130471099
4-(3,3-difluorobutanoyl)piperazin-2-one
CID 130666948
4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one
CID 60587676
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 119623905
4-[3-[4-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119240108
4-[3,3-bis(4-chlorophenyl)propanoyl]piperazin-2-one;4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 158029999
2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124688467
1-(3-anilinopyrrolidin-1-yl)-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 56503062
(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8516481
1-(3-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119576666
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one?
The IUPAC name of 4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one (CID 94677270) is 4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one.
What is the SMILES notation for 4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one?
The canonical SMILES for 4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one is C[C@H](CC(=O)N1CCNC(=O)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one?
The InChIKey is HPXOQCZSZFCFGI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-10(8-14(22)20-7-6-19-13(21)9-20)11-2-4-12(5-3-11)15(16,17)18/h2-5,10H,6-9H2,1H3,(H,19,21)/t10-/m1/s1.
What are the key properties of 4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one?
4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one has a molecular weight of 314.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]piperazin-2-one is sourced from PubChem (CID 94677270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).