2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone

C13H18F3NO — CID 95143324

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(C[C@@H]1C=CCC1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)11-6-3-7-17(9-11)12(18)8-10-4-1-2-5-10/h1,4,10-11H,2-3,5-9H2/t10-,11+/m1/s1
InChIKeyAZTZWVIHQKWKFD-MNOVXSKESA-N
MW261.29 g/mol
LogP3.14
Rot. Bonds2

About 2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 95143324) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID95143324
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(C[C@@H]1C=CCC1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)11-6-3-7-17(9-11)12(18)8-10-4-1-2-5-10/h1,4,10-11H,2-3,5-9H2/t10-,11+/m1/s1
InChIKeyAZTZWVIHQKWKFD-MNOVXSKESA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-Cyclohexen-1-ylcarbonyl)piperidine
CID 162129
Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3055356
(E)-2,2-difluoro-1-morpholino-3-propylhept-4-en-1-one
CID 168720242
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 39969447
Cyclohex-3-en-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45800434
1-(2-Cyclopenten-1-ylacetyl)-3-(1-pyrrolidinylmethyl)piperidine
CID 45933122
2-[(1R)-cyclopent-2-en-1-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97864631
(1S)-N-(cyclopentylmethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 99616323
1-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one
CID 125143337
Cyclopenten-1-yl-[4-(fluoromethyl)piperidin-1-yl]methanone
CID 126791044
cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone
CID 129349149
2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 164631635

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 95143324) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(C[C@@H]1C=CCC1)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is AZTZWVIHQKWKFD-MNOVXSKESA-N. The full InChI is InChI=1S/C13H18F3NO/c14-13(15,16)11-6-3-7-17(9-11)12(18)8-10-4-1-2-5-10/h1,4,10-11H,2-3,5-9H2/t10-,11+/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 261.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95143324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).