[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone

C16H18N4O2 — CID 122260869

IUPAC[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1nccc(OC2CCCN(C(=O)c3ccccn3)C2)n1
InChIInChI=1S/C16H18N4O2/c1-12-17-9-7-15(19-12)22-13-5-4-10-20(11-13)16(21)14-6-2-3-8-18-14/h2-3,6-9,13H,4-5,10-11H2,1H3
InChIKeyANXBVYAAELKMAQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.86
Rot. Bonds3

About [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone

[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 122260869) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID122260869
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1nccc(OC2CCCN(C(=O)c3ccccn3)C2)n1
InChIInChI=1S/C16H18N4O2/c1-12-17-9-7-15(19-12)22-13-5-4-10-20(11-13)16(21)14-6-2-3-8-18-14/h2-3,6-9,13H,4-5,10-11H2,1H3
InChIKeyANXBVYAAELKMAQ-UHFFFAOYSA-N
XLogP1.86
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122257904
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260670
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
(5-methyl-1-phenylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260701
[4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate
CID 122260909
4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one
CID 122260938
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 122260897
N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261023
(2,4-difluorophenyl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260843
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
CID 122260717

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone (CID 122260869) is [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone is Cc1nccc(OC2CCCN(C(=O)c3ccccn3)C2)n1.
What is the InChIKey of [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is ANXBVYAAELKMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-17-9-7-15(19-12)22-13-5-4-10-20(11-13)16(21)14-6-2-3-8-18-14/h2-3,6-9,13H,4-5,10-11H2,1H3.
What are the key properties of [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone?
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 298.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 122260869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).