[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

C11H17F3N2O — CID 94916279

IUPAC[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCNC1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9-2-1-5-16(7-9)10(17)8-3-4-15-6-8/h8-9,15H,1-7H2/t8-,9+/m0/s1
InChIKeyUDSOFXWPXQOGJC-DTWKUNHWSA-N
MW250.26 g/mol
LogP1.40
Rot. Bonds1

About [(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 94916279) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is [(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID94916279
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCNC1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9-2-1-5-16(7-9)10(17)8-3-4-15-6-8/h8-9,15H,1-7H2/t8-,9+/m0/s1
InChIKeyUDSOFXWPXQOGJC-DTWKUNHWSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyrrolidin-3-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 121201194
[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129494555
cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97005184
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone
CID 129495393
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120944
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
(4-tert-butylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119787780
[(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129365590
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
(3-methoxypiperidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103809318

Frequently Asked Questions

What is the IUPAC name of [(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 94916279) is [(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C([C@H]1CCNC1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of [(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is UDSOFXWPXQOGJC-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)9-2-1-5-16(7-9)10(17)8-3-4-15-6-8/h8-9,15H,1-7H2/t8-,9+/m0/s1.
What are the key properties of [(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 250.26 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 94916279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).