1-(4-methoxypyrimidin-5-yl)piperidin-4-one

C10H13N3O2 — CID 119054418

IUPAC1-(4-methoxypyrimidin-5-yl)piperidin-4-one
SMILESCOc1ncncc1N1CCC(=O)CC1
InChIInChI=1S/C10H13N3O2/c1-15-10-9(6-11-7-12-10)13-4-2-8(14)3-5-13/h6-7H,2-5H2,1H3
InChIKeyNEXJPXHVKHZBTF-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.65
Rot. Bonds2

About 1-(4-methoxypyrimidin-5-yl)piperidin-4-one

1-(4-methoxypyrimidin-5-yl)piperidin-4-one (PubChem CID 119054418) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-5-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-5-yl)piperidin-4-one
PubChem CID119054418
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(4-methoxypyrimidin-5-yl)piperidin-4-one
SMILESCOc1ncncc1N1CCC(=O)CC1
InChIInChI=1S/C10H13N3O2/c1-15-10-9(6-11-7-12-10)13-4-2-8(14)3-5-13/h6-7H,2-5H2,1H3
InChIKeyNEXJPXHVKHZBTF-UHFFFAOYSA-N
XLogP0.65
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one
CID 119054419
1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one
CID 119054421
1-(4-methyl-3-pyridinyl)piperidin-4-one
CID 63327430
1-(4-methoxypyrimidin-5-yl)-2H-pyridin-3-ol
CID 175499773
1-(6-methoxy-3-pyridinyl)piperidin-4-one
CID 22000279
(2S)-5-(2-chlorophenyl)-1-[1-(4-methoxypyrimidin-5-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 139450272
1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one
CID 103414426
1-(5-methylpyrimidin-2-yl)piperidin-4-one
CID 63208322
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
1-[5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperidin-4-one
CID 18511025
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973276

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-5-yl)piperidin-4-one?
The IUPAC name of 1-(4-methoxypyrimidin-5-yl)piperidin-4-one (CID 119054418) is 1-(4-methoxypyrimidin-5-yl)piperidin-4-one.
What is the SMILES notation for 1-(4-methoxypyrimidin-5-yl)piperidin-4-one?
The canonical SMILES for 1-(4-methoxypyrimidin-5-yl)piperidin-4-one is COc1ncncc1N1CCC(=O)CC1.
What is the InChIKey of 1-(4-methoxypyrimidin-5-yl)piperidin-4-one?
The InChIKey is NEXJPXHVKHZBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-15-10-9(6-11-7-12-10)13-4-2-8(14)3-5-13/h6-7H,2-5H2,1H3.
What are the key properties of 1-(4-methoxypyrimidin-5-yl)piperidin-4-one?
1-(4-methoxypyrimidin-5-yl)piperidin-4-one has a molecular weight of 207.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-5-yl)piperidin-4-one is sourced from PubChem (CID 119054418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).