5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one

C11H17N3O3 — CID 114586411

IUPAC5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CCCNC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-9-10(15)13-7-14-11(9)17-6-8-3-2-4-12-5-8/h7-8,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyHUYQUBLEKVDCGK-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.16
Rot. Bonds4

About 5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one

5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586411) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586411
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CCCNC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-9-10(15)13-7-14-11(9)17-6-8-3-2-4-12-5-8/h7-8,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyHUYQUBLEKVDCGK-UHFFFAOYSA-N
XLogP0.16
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one (CID 114586411) is 5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one is COc1c(OCC2CCCNC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is HUYQUBLEKVDCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-16-9-10(15)13-7-14-11(9)17-6-8-3-2-4-12-5-8/h7-8,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).