4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C12H17N3O2 — CID 136973275

IUPAC4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-8(2)12-13-10(7-11(17)14-12)15-5-3-9(16)4-6-15/h7-8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyCZVPCAIPMORMIO-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.06
Rot. Bonds2

About 4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136973275) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136973275
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-8(2)12-13-10(7-11(17)14-12)15-5-3-9(16)4-6-15/h7-8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyCZVPCAIPMORMIO-UHFFFAOYSA-N
XLogP1.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009787
2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009789
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
2-ethyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009795
2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 175761646
4-(dimethylamino)-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136314513
4-(dimethylamino)-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 136345067
2-(3-aminopropyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136345068
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687976
N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687977

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136973275) is 4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCC(=O)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is CZVPCAIPMORMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)12-13-10(7-11(17)14-12)15-5-3-9(16)4-6-15/h7-8H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of 4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).