1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one

C12H17N3O2 — CID 119054419

IUPAC1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one
SMILESCC(C)Oc1ncncc1N1CCC(=O)CC1
InChIInChI=1S/C12H17N3O2/c1-9(2)17-12-11(7-13-8-14-12)15-5-3-10(16)4-6-15/h7-9H,3-6H2,1-2H3
InChIKeyBUMBTQAQIADWNE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.43
Rot. Bonds3

About 1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one

1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one (PubChem CID 119054419) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one
PubChem CID119054419
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one
SMILESCC(C)Oc1ncncc1N1CCC(=O)CC1
InChIInChI=1S/C12H17N3O2/c1-9(2)17-12-11(7-13-8-14-12)15-5-3-10(16)4-6-15/h7-9H,3-6H2,1-2H3
InChIKeyBUMBTQAQIADWNE-UHFFFAOYSA-N
XLogP1.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxypyrimidin-5-yl)piperidin-4-one
CID 119054418
1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one
CID 119054421
5-methyl-4-propan-2-yloxypyrimidine
CID 54127636
1-(4-methyl-3-pyridinyl)piperidin-4-one
CID 63327430
5-propan-2-yl-6,7-dihydropyrrolo[3,2-d]pyrimidine
CID 138607465
1-(5-methylpyrimidin-2-yl)piperidin-4-one
CID 63208322
1-[5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperidin-4-one
CID 18511025
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
4-(4-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
CID 19140358
4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine
CID 23489628
1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one
CID 126848690
1-quinolin-4-ylpiperidin-4-one
CID 22000285

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one?
The IUPAC name of 1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one (CID 119054419) is 1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one.
What is the SMILES notation for 1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one?
The canonical SMILES for 1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one is CC(C)Oc1ncncc1N1CCC(=O)CC1.
What is the InChIKey of 1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one?
The InChIKey is BUMBTQAQIADWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(2)17-12-11(7-13-8-14-12)15-5-3-10(16)4-6-15/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one?
1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one has a molecular weight of 235.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one is sourced from PubChem (CID 119054419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).