(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

C15H15FN4O2 — CID 122267132

IUPAC(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccncc1F)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C15H15FN4O2/c16-13-9-17-7-4-12(13)14(21)20-8-1-3-11(10-20)22-15-18-5-2-6-19-15/h2,4-7,9,11H,1,3,8,10H2
InChIKeyXLHQVVAHHFZNGJ-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.69
Rot. Bonds3

About (3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 122267132) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID122267132
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccncc1F)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C15H15FN4O2/c16-13-9-17-7-4-12(13)14(21)20-8-1-3-11(10-20)22-15-18-5-2-6-19-15/h2,4-7,9,11H,1,3,8,10H2
InChIKeyXLHQVVAHHFZNGJ-UHFFFAOYSA-N
XLogP1.69
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
(3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129476479
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257485
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
[3-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64955803
(5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257281
[3-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 80660398
[2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243556

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 122267132) is (3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is O=C(c1ccncc1F)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is XLHQVVAHHFZNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-13-9-17-7-4-12(13)14(21)20-8-1-3-11(10-20)22-15-18-5-2-6-19-15/h2,4-7,9,11H,1,3,8,10H2.
What are the key properties of (3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 302.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122267132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).