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

C12H15N3O2 — CID 136973283

IUPAC2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C12H15N3O2/c16-9-3-5-15(6-4-9)10-7-11(17)14-12(13-10)8-1-2-8/h7-8H,1-6H2,(H,13,14,17)
InChIKeyXCJLTVTZDQLSER-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.82
Rot. Bonds2

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

2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973283) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973283
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C12H15N3O2/c16-9-3-5-15(6-4-9)10-7-11(17)14-12(13-10)8-1-2-8/h7-8H,1-6H2,(H,13,14,17)
InChIKeyXCJLTVTZDQLSER-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

2-cyclopropyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731877
N-[[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792779
4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136972875
4-[4-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136972883
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
4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973285
4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973288
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973283) is 2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is O=C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is XCJLTVTZDQLSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-9-3-5-15(6-4-9)10-7-11(17)14-12(13-10)8-1-2-8/h7-8H,1-6H2,(H,13,14,17).
What are the key properties of 2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(4-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-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).