2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one

C12H15N3O2 — CID 136973346

IUPAC2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H15N3O2/c16-9-2-1-5-15(7-9)10-6-11(17)14-12(13-10)8-3-4-8/h6,8H,1-5,7H2,(H,13,14,17)
InChIKeyVHHPGTNTQXNVRC-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.82
Rot. Bonds2

About 2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973346) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973346
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H15N3O2/c16-9-2-1-5-15(7-9)10-6-11(17)14-12(13-10)8-3-4-8/h6,8H,1-5,7H2,(H,13,14,17)
InChIKeyVHHPGTNTQXNVRC-UHFFFAOYSA-N
XLogP0.82
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973275
2-methyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973277
2-ethyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973278
2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973283
4-(4-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973294
4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136973296
4-(4-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973297
4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973303
2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973327
4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973338
2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973340
2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973341

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973346) is 2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one is O=C1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is VHHPGTNTQXNVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-9-2-1-5-15(7-9)10-6-11(17)14-12(13-10)8-3-4-8/h6,8H,1-5,7H2,(H,13,14,17).
What are the key properties of 2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 233.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).