4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one

C10H15N3O2 — CID 136957477

IUPAC4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C10H15N3O2/c1-15-8-2-4-13(5-3-8)9-6-10(14)12-7-11-9/h6-8H,2-5H2,1H3,(H,11,12,14)
InChIKeySITXXFWQMKPSSU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.39
Rot. Bonds2

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

4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957477) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957477
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C10H15N3O2/c1-15-8-2-4-13(5-3-8)9-6-10(14)12-7-11-9/h6-8H,2-5H2,1H3,(H,11,12,14)
InChIKeySITXXFWQMKPSSU-UHFFFAOYSA-N
XLogP0.39
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
6-(4-Hydroxypiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957342
6-(4-Fluoropiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 164648869
4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241487
4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586279
4-Hydroxy-6-(3-hydroxypiperidin-1-yl)pyrimidine
CID 136276594
4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702378
4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702384
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783270
4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811796
4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821999
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825662

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 136957477) is 4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one is COC1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is SITXXFWQMKPSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-8-2-4-13(5-3-8)9-6-10(14)12-7-11-9/h6-8H,2-5H2,1H3,(H,11,12,14).
What are the key properties of 4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).