[(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

C11H17F3N2O — CID 129365590

IUPAC[(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)8-3-2-6-16(7-8)10(17)9-4-1-5-15-9/h8-9,15H,1-7H2/t8-,9+/m1/s1
InChIKeyRQLHPLHRKTYZMW-BDAKNGLRSA-N
MW250.26 g/mol
LogP1.54
Rot. Bonds1

About [(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

[(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 129365590) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID129365590
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name[(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)8-3-2-6-16(7-8)10(17)9-4-1-5-15-9/h8-9,15H,1-7H2/t8-,9+/m1/s1
InChIKeyRQLHPLHRKTYZMW-BDAKNGLRSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129320770
[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707264
[(2R)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707243
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
(3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 81125629
[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94916279
(4-tert-butylazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119326041
2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120617475
cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97005184
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 129365590) is [(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C([C@@H]1CCCN1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is RQLHPLHRKTYZMW-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)8-3-2-6-16(7-8)10(17)9-4-1-5-15-9/h8-9,15H,1-7H2/t8-,9+/m1/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
[(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 250.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 129365590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).