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

C13H19N3O2 — CID 136702382

IUPAC2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H19N3O2/c1-18-10-3-2-6-16(8-10)11-7-12(17)15-13(14-11)9-4-5-9/h7,9-10H,2-6,8H2,1H3,(H,14,15,17)
InChIKeyIFWWTJOWNXZECP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.26
Rot. Bonds3

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

2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136702382) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136702382
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H19N3O2/c1-18-10-3-2-6-16(8-10)11-7-12(17)15-13(14-11)9-4-5-9/h7,9-10H,2-6,8H2,1H3,(H,14,15,17)
InChIKeyIFWWTJOWNXZECP-UHFFFAOYSA-N
XLogP1.26
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102954448
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733
2-cyclopropyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241387
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
2-cyclopropyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241479
2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939638
4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 104939639
4-piperidin-3-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604870
2-cyclopropyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 113604897
2-ethyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756889
2-ethyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586400

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 136702382) is 2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one is COC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is IFWWTJOWNXZECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-10-3-2-6-16(8-10)11-7-12(17)15-13(14-11)9-4-5-9/h7,9-10H,2-6,8H2,1H3,(H,14,15,17).
What are the key properties of 2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136702382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).