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

C13H21N3O2 — CID 136702385

IUPAC4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C13H21N3O2/c1-9(2)13-14-11(7-12(17)15-13)16-6-4-5-10(8-16)18-3/h7,9-10H,4-6,8H2,1-3H3,(H,14,15,17)
InChIKeyXUBFIQBWHVFPKH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds3

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

4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136702385) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136702385
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C13H21N3O2/c1-9(2)13-14-11(7-12(17)15-13)16-6-4-5-10(8-16)18-3/h7,9-10H,4-6,8H2,1-3H3,(H,14,15,17)
InChIKeyXUBFIQBWHVFPKH-UHFFFAOYSA-N
XLogP1.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one
CID 137050055
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-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
2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939643
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136702385) is 4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is COC1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1.
What is the InChIKey of 4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is XUBFIQBWHVFPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)13-14-11(7-12(17)15-13)16-6-4-5-10(8-16)18-3/h7,9-10H,4-6,8H2,1-3H3,(H,14,15,17).
What are the key properties of 4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136702385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).