3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one

C16H20N4O2 — CID 126874409

IUPAC3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one
SMILESCn1cnc(N2CCC(COc3ccccn3)CC2)cc1=O
InChIInChI=1S/C16H20N4O2/c1-19-12-18-14(10-16(19)21)20-8-5-13(6-9-20)11-22-15-4-2-3-7-17-15/h2-4,7,10,12-13H,5-6,8-9,11H2,1H3
InChIKeyJCFAMQCUSPCESG-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.47
Rot. Bonds4

About 3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one

3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one (PubChem CID 126874409) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one
PubChem CID126874409
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one
SMILESCn1cnc(N2CCC(COc3ccccn3)CC2)cc1=O
InChIInChI=1S/C16H20N4O2/c1-19-12-18-14(10-16(19)21)20-8-5-13(6-9-20)11-22-15-4-2-3-7-17-15/h2-4,7,10,12-13H,5-6,8-9,11H2,1H3
InChIKeyJCFAMQCUSPCESG-UHFFFAOYSA-N
XLogP1.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine
CID 133349542
2-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazine
CID 126874169
2-fluoro-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349592
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]quinoline
CID 133349552
2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605956
6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 126874369
6-(cyclobutylmethoxy)-3-methylpyrimidin-4-one
CID 126954677
1-methyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 126874144
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid
CID 167781295
2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine
CID 133349539
5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349588

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one (CID 126874409) is 3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one is Cn1cnc(N2CCC(COc3ccccn3)CC2)cc1=O.
What is the InChIKey of 3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one?
The InChIKey is JCFAMQCUSPCESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-12-18-14(10-16(19)21)20-8-5-13(6-9-20)11-22-15-4-2-3-7-17-15/h2-4,7,10,12-13H,5-6,8-9,11H2,1H3.
What are the key properties of 3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one?
3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one has a molecular weight of 300.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one is sourced from PubChem (CID 126874409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).