[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone

C15H19F2N3O2 — CID 110108466

IUPAC[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H19F2N3O2/c16-15(17)3-6-19(7-4-15)12-9-20(10-13(12)21)14(22)11-2-1-5-18-8-11/h1-2,5,8,12-13,21H,3-4,6-7,9-10H2/t12-,13-/m1/s1
InChIKeyDNRFZDRRMFWSSI-CHWSQXEVSA-N
MW311.33 g/mol
LogP1.00
Rot. Bonds2

About [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone

[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110108466) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID110108466
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H19F2N3O2/c16-15(17)3-6-19(7-4-15)12-9-20(10-13(12)21)14(22)11-2-1-5-18-8-11/h1-2,5,8,12-13,21H,3-4,6-7,9-10H2/t12-,13-/m1/s1
InChIKeyDNRFZDRRMFWSSI-CHWSQXEVSA-N
XLogP1.00
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110108531
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
[3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110108998
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 142181513
1,2-dihydroperoxyethyne;(4-fluorophenyl)-[1-[4-hydroxy-1-(pyridine-3-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone
CID 158931644
[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 172884464
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 110108466) is [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1.
What is the InChIKey of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is DNRFZDRRMFWSSI-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c16-15(17)3-6-19(7-4-15)12-9-20(10-13(12)21)14(22)11-2-1-5-18-8-11/h1-2,5,8,12-13,21H,3-4,6-7,9-10H2/t12-,13-/m1/s1.
What are the key properties of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone?
[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 311.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110108466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).