4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one

C13H19N3O2 — CID 136804079

IUPAC4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
SMILESCCC(=O)N1CCCC(c2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C13H19N3O2/c1-3-12(18)16-6-4-5-10(8-16)13-14-9(2)7-11(17)15-13/h7,10H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyHWHCQNOTDWDAPQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.19
Rot. Bonds2

About 4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one

4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one (PubChem CID 136804079) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
PubChem CID136804079
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
SMILESCCC(=O)N1CCCC(c2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C13H19N3O2/c1-3-12(18)16-6-4-5-10(8-16)13-14-9(2)7-11(17)15-13/h7,10H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyHWHCQNOTDWDAPQ-UHFFFAOYSA-N
XLogP1.19
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136816528
2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136797225
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136734998
4-ethyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707434
1-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95860793
2-[(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860390
2-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860350
1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110252451
4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707435
2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860381
2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136804107

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one (CID 136804079) is 4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one is CCC(=O)N1CCCC(c2nc(C)cc(=O)[nH]2)C1.
What is the InChIKey of 4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is HWHCQNOTDWDAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-12(18)16-6-4-5-10(8-16)13-14-9(2)7-11(17)15-13/h7,10H,3-6,8H2,1-2H3,(H,14,15,17).
What are the key properties of 4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one?
4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136804079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).