(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

C16H15F2N3O2 — CID 122257276

IUPAC(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C16H15F2N3O2/c17-12-5-1-6-13(18)14(12)15(22)21-9-2-4-11(10-21)23-16-19-7-3-8-20-16/h1,3,5-8,11H,2,4,9-10H2
InChIKeyWJDQUVYIFXBONG-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.44
Rot. Bonds3

About (2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 122257276) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID122257276
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C16H15F2N3O2/c17-12-5-1-6-13(18)14(12)15(22)21-9-2-4-11(10-21)23-16-19-7-3-8-20-16/h1,3,5-8,11H,2,4,9-10H2
InChIKeyWJDQUVYIFXBONG-UHFFFAOYSA-N
XLogP2.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132
4-[1-(2,6-difluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256720
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
(3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267106
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257485
methyl 4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)benzoate
CID 122160936
(2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129355694
(3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 122257463

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 122257276) is (2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is O=C(c1c(F)cccc1F)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of (2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is WJDQUVYIFXBONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c17-12-5-1-6-13(18)14(12)15(22)21-9-2-4-11(10-21)23-16-19-7-3-8-20-16/h1,3,5-8,11H,2,4,9-10H2.
What are the key properties of (2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 319.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122257276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).