3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one

C17H20N4O4 — CID 121161190

IUPAC3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCOc1nccc(OC2CCN(C(=O)c3cccn(C)c3=O)CC2)n1
InChIInChI=1S/C17H20N4O4/c1-20-9-3-4-13(15(20)22)16(23)21-10-6-12(7-11-21)25-14-5-8-18-17(19-14)24-2/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyXUCQDLBKHQSYOR-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.87
Rot. Bonds4

About 3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one

3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 121161190) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID121161190
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCOc1nccc(OC2CCN(C(=O)c3cccn(C)c3=O)CC2)n1
InChIInChI=1S/C17H20N4O4/c1-20-9-3-4-13(15(20)22)16(23)21-10-6-12(7-11-21)25-14-5-8-18-17(19-14)24-2/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyXUCQDLBKHQSYOR-UHFFFAOYSA-N
XLogP0.87
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121161503
3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100630515
(2,5-dimethylfuran-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161386
3-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756457
3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756452
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
(5-bromofuran-2-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161358
1-methyl-3-[(3S)-3-quinolin-2-yloxypyrrolidine-1-carbonyl]pyridin-2-one
CID 100739490
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121161309
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161454

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one (CID 121161190) is 3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one is COc1nccc(OC2CCN(C(=O)c3cccn(C)c3=O)CC2)n1.
What is the InChIKey of 3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is XUCQDLBKHQSYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-20-9-3-4-13(15(20)22)16(23)21-10-6-12(7-11-21)25-14-5-8-18-17(19-14)24-2/h3-5,8-9,12H,6-7,10-11H2,1-2H3.
What are the key properties of 3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one?
3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 344.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 121161190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).