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

C22H24N4O2 — CID 136850333

IUPAC2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1cccc(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1
InChIInChI=1S/C22H24N4O2/c1-28-19-6-2-4-16(12-19)14-26-11-3-5-18(15-26)22-24-20(13-21(27)25-22)17-7-9-23-10-8-17/h2,4,6-10,12-13,18H,3,5,11,14-15H2,1H3,(H,24,25,27)/t18-/m1/s1
InChIKeyFGYPWSZFSVLLMM-GOSISDBHSA-N
MW376.46 g/mol
LogP3.22
Rot. Bonds5

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

2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136850333) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136850333
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1cccc(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1
InChIInChI=1S/C22H24N4O2/c1-28-19-6-2-4-16(12-19)14-26-11-3-5-18(15-26)22-24-20(13-21(27)25-22)17-7-9-23-10-8-17/h2,4,6-10,12-13,18H,3,5,11,14-15H2,1H3,(H,24,25,27)/t18-/m1/s1
InChIKeyFGYPWSZFSVLLMM-GOSISDBHSA-N
XLogP3.22
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[(3S)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136869698
2-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860398
2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881140
4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136869640
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881151
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809167
2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881578
2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136820909
2-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136869629
4-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136765637
4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850293
2-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136891299

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 136850333) is 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one is COc1cccc(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1.
What is the InChIKey of 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is FGYPWSZFSVLLMM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-19-6-2-4-16(12-19)14-26-11-3-5-18(15-26)22-24-20(13-21(27)25-22)17-7-9-23-10-8-17/h2,4,6-10,12-13,18H,3,5,11,14-15H2,1H3,(H,24,25,27)/t18-/m1/s1.
What are the key properties of 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 376.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136850333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).