4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one

C10H15N3O2 — CID 102954690

IUPAC4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
SMILESCC1CCNCC1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O2/c1-7-2-3-11-5-8(7)15-10-4-9(14)12-6-13-10/h4,6-8,11H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyJVGNGKKRRGXMPS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.15
Rot. Bonds2

About 4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one

4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one (PubChem CID 102954690) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
PubChem CID102954690
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
SMILESCC1CCNCC1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O2/c1-7-2-3-11-5-8(7)15-10-4-9(14)12-6-13-10/h4,6-8,11H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyJVGNGKKRRGXMPS-UHFFFAOYSA-N
XLogP0.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 67958299
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
5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954540
5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954541
5-bromo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954732
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733
5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954771
4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241394
4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241487
4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939637
2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939638

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one (CID 102954690) is 4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one is CC1CCNCC1Oc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The InChIKey is JVGNGKKRRGXMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-2-3-11-5-8(7)15-10-4-9(14)12-6-13-10/h4,6-8,11H,2-3,5H2,1H3,(H,12,13,14).
What are the key properties of 4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102954690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).