[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C17H23F2N3O2 — CID 125008823

IUPAC[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C17H23F2N3O2/c1-13-3-2-4-14(20-13)15(23)22-10-5-16(24,12-22)11-21-8-6-17(18,19)7-9-21/h2-4,24H,5-12H2,1H3/t16-/m1/s1
InChIKeyUXYKRBYGWDPEAW-MRXNPFEDSA-N
MW339.39 g/mol
LogP1.70
Rot. Bonds3

About [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 125008823) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID125008823
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C17H23F2N3O2/c1-13-3-2-4-14(20-13)15(23)22-10-5-16(24,12-22)11-21-8-6-17(18,19)7-9-21/h2-4,24H,5-12H2,1H3/t16-/m1/s1
InChIKeyUXYKRBYGWDPEAW-MRXNPFEDSA-N
XLogP1.70
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one
CID 110109029
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 99992334
[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 124980278
[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124989633
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124956840
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 124991930
[3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110108998
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 125006220
[(3S)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 124942181
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124958098
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 124954418
1-[3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 110108994

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 125008823) is [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is UXYKRBYGWDPEAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-13-3-2-4-14(20-13)15(23)22-10-5-16(24,12-22)11-21-8-6-17(18,19)7-9-21/h2-4,24H,5-12H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 339.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 125008823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).