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

C11H17N3O2 — CID 136702380

IUPAC4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCOC1CCCN(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C11H17N3O2/c1-8-12-10(6-11(15)13-8)14-5-3-4-9(7-14)16-2/h6,9H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyWXOMCTPKYKAIKP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.69
Rot. Bonds2

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

4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136702380) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136702380
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCOC1CCCN(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C11H17N3O2/c1-8-12-10(6-11(15)13-8)14-5-3-4-9(7-14)16-2/h6,9H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyWXOMCTPKYKAIKP-UHFFFAOYSA-N
XLogP0.69
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-2-methyl-6-morpholinopyrimidine
CID 135592113
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-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241391
2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241483
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-ethyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756889
2-ethyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792726

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136702380) is 4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one is COC1CCCN(c2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WXOMCTPKYKAIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-12-10(6-11(15)13-8)14-5-3-4-9(7-14)16-2/h6,9H,3-5,7H2,1-2H3,(H,12,13,15).
What are the key properties of 4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.69, 2 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136702380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).