4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 136957874

IUPAC4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOCC1CCN(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C12H19N3O2/c1-9-13-11(7-12(16)14-9)15-5-3-10(4-6-15)8-17-2/h7,10H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyXNVMUBIAMJKRNO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.94
Rot. Bonds3

About 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957874) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136957874
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOCC1CCN(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C12H19N3O2/c1-9-13-11(7-12(16)14-9)15-5-3-10(4-6-15)8-17-2/h7,10H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyXNVMUBIAMJKRNO-UHFFFAOYSA-N
XLogP0.94
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957964
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
2-ethyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009795
2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
4-methoxy-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 105462846
4-methoxy-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 105480518
4-(piperidin-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604864
2-ethyl-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604874
2-methyl-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604876
2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586346
2-cyclopropyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586347

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136957874) is 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is COCC1CCN(c2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is XNVMUBIAMJKRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-13-11(7-12(16)14-9)15-5-3-10(4-6-15)8-17-2/h7,10H,3-6,8H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).