4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one

C11H17N3O2 — CID 105480520

IUPAC4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CC2CCCNC2)n1
InChIInChI=1S/C11H17N3O2/c1-16-11-6-10(15)13-9(14-11)5-8-3-2-4-12-7-8/h6,8,12H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyBKWHPAXZZOQYQW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.32
Rot. Bonds3

About 4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one

4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 105480520) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID105480520
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CC2CCCNC2)n1
InChIInChI=1S/C11H17N3O2/c1-16-11-6-10(15)13-9(14-11)5-8-3-2-4-12-7-8/h6,8,12H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyBKWHPAXZZOQYQW-UHFFFAOYSA-N
XLogP0.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160
4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 63554635
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91106069
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91221143
4-hydroxy-2-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 117708726
4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
CID 153615359
4-hydroxy-2-(6-methylpiperidin-1-id-3-yl)-1H-pyrimidin-6-one;methanol;yttrium
CID 153615514
2-(1-ethyl-6-methylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 170102342
4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 63555169
2-(2-piperidin-3-ylethyl)-1H-pyrimidin-6-one
CID 84035398
2-[1-(aminomethyl)cyclopentyl]-4-methoxy-1H-pyrimidin-6-one
CID 84062778
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-1H-pyrimidin-6-one
CID 84062998

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one (CID 105480520) is 4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(CC2CCCNC2)n1.
What is the InChIKey of 4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is BKWHPAXZZOQYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-11-6-10(15)13-9(14-11)5-8-3-2-4-12-7-8/h6,8,12H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one?
4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105480520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).