4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one

C17H22N4O2 — CID 136869640

IUPAC4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3ccncc3)C2)n1
InChIInChI=1S/C17H22N4O2/c1-23-12-15-9-16(22)20-17(19-15)14-3-2-8-21(11-14)10-13-4-6-18-7-5-13/h4-7,9,14H,2-3,8,10-12H2,1H3,(H,19,20,22)/t14-/m1/s1
InChIKeyLLMCREYUOLGNJU-CQSZACIVSA-N
MW314.39 g/mol
LogP1.69
Rot. Bonds5

About 4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one

4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136869640) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136869640
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3ccncc3)C2)n1
InChIInChI=1S/C17H22N4O2/c1-23-12-15-9-16(22)20-17(19-15)14-3-2-8-21(11-14)10-13-4-6-18-7-5-13/h4-7,9,14H,2-3,8,10-12H2,1H3,(H,19,20,22)/t14-/m1/s1
InChIKeyLLMCREYUOLGNJU-CQSZACIVSA-N
XLogP1.69
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136869637
2-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136869629
2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850333
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136707388
2-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136735017
2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881140
5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707415
4-ethyl-2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707395
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881151
2-[(3S)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136869698
2-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860350

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one (CID 136869640) is 4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3ccncc3)C2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is LLMCREYUOLGNJU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-12-15-9-16(22)20-17(19-15)14-3-2-8-21(11-14)10-13-4-6-18-7-5-13/h4-7,9,14H,2-3,8,10-12H2,1H3,(H,19,20,22)/t14-/m1/s1.
What are the key properties of 4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 314.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136869640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).