[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

C10H17FN2O — CID 129494555

IUPAC[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESO=C([C@H]1CCNC1)N1CCC[C@H](F)C1
InChIInChI=1S/C10H17FN2O/c11-9-2-1-5-13(7-9)10(14)8-3-4-12-6-8/h8-9,12H,1-7H2/t8-,9-/m0/s1
InChIKeyXMAGJQUVTSMMFC-IUCAKERBSA-N
MW200.26 g/mol
LogP0.56
Rot. Bonds1

About [(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 129494555) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is [(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID129494555
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESO=C([C@H]1CCNC1)N1CCC[C@H](F)C1
InChIInChI=1S/C10H17FN2O/c11-9-2-1-5-13(7-9)10(14)8-3-4-12-6-8/h8-9,12H,1-7H2/t8-,9-/m0/s1
InChIKeyXMAGJQUVTSMMFC-IUCAKERBSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120944
[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94916279
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
(3-methoxypiperidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103809318
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504
[3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 121201689
pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167029
[(3S)-3-hydroxypiperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 93086400
pyrrolidin-3-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 121201194
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of [(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (CID 129494555) is [(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is O=C([C@H]1CCNC1)N1CCC[C@H](F)C1.
What is the InChIKey of [(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is XMAGJQUVTSMMFC-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17FN2O/c11-9-2-1-5-13(7-9)10(14)8-3-4-12-6-8/h8-9,12H,1-7H2/t8-,9-/m0/s1.
What are the key properties of [(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 200.26 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 129494555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).