[(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

C21H19FN4O2 — CID 95140625

IUPAC[(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2cccnc2)nc1)N1CCC[C@@H](Oc2ccc(F)cc2)C1
InChIInChI=1S/C21H19FN4O2/c22-17-5-7-18(8-6-17)28-19-4-2-10-26(14-19)21(27)16-12-24-20(25-13-16)15-3-1-9-23-11-15/h1,3,5-9,11-13,19H,2,4,10,14H2/t19-/m1/s1
InChIKeyAEQOORRNRKZLHU-LJQANCHMSA-N
MW378.41 g/mol
LogP3.36
Rot. Bonds4

About [(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

[(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone (PubChem CID 95140625) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is [(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
PubChem CID95140625
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name[(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2cccnc2)nc1)N1CCC[C@@H](Oc2ccc(F)cc2)C1
InChIInChI=1S/C21H19FN4O2/c22-17-5-7-18(8-6-17)28-19-4-2-10-26(14-19)21(27)16-12-24-20(25-13-16)15-3-1-9-23-11-15/h1,3,5-9,11-13,19H,2,4,10,14H2/t19-/m1/s1
InChIKeyAEQOORRNRKZLHU-LJQANCHMSA-N
XLogP3.36
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone with MolForge

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Related Compounds

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42147776
4-[1-(4-fluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256712
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258916
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 119100397
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 156605241
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124738553
pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone
CID 97193617
(3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone
CID 166232036

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone (CID 95140625) is [(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2cccnc2)nc1)N1CCC[C@@H](Oc2ccc(F)cc2)C1.
What is the InChIKey of [(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The InChIKey is AEQOORRNRKZLHU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-17-5-7-18(8-6-17)28-19-4-2-10-26(14-19)21(27)16-12-24-20(25-13-16)15-3-1-9-23-11-15/h1,3,5-9,11-13,19H,2,4,10,14H2/t19-/m1/s1.
What are the key properties of [(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
[(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone has a molecular weight of 378.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 95140625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).