3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one

C18H23N3O — CID 91830839

IUPAC3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCCCC2c2ccccn2)c(C)c1=O
InChIInChI=1S/C18H23N3O/c1-13-11-20-16(14(2)18(13)22)12-21-10-6-4-8-17(21)15-7-3-5-9-19-15/h3,5,7,9,11,17H,4,6,8,10,12H2,1-2H3,(H,20,22)
InChIKeyAMUIKTDAKWFELN-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.11
Rot. Bonds3

About 3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one

3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one (PubChem CID 91830839) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one
PubChem CID91830839
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCCCC2c2ccccn2)c(C)c1=O
InChIInChI=1S/C18H23N3O/c1-13-11-20-16(14(2)18(13)22)12-21-10-6-4-8-17(21)15-7-3-5-9-19-15/h3,5,7,9,11,17H,4,6,8,10,12H2,1-2H3,(H,20,22)
InChIKeyAMUIKTDAKWFELN-UHFFFAOYSA-N
XLogP3.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
2-[[(4S,4aS,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 56905997
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 125156413
2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 99937922
2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 124906833
2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094
2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 95708113
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
1-methyl-6-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137048539
2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one (CID 91830839) is 3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one is Cc1c[nH]c(CN2CCCCC2c2ccccn2)c(C)c1=O.
What is the InChIKey of 3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one?
The InChIKey is AMUIKTDAKWFELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-11-20-16(14(2)18(13)22)12-21-10-6-4-8-17(21)15-7-3-5-9-19-15/h3,5,7,9,11,17H,4,6,8,10,12H2,1-2H3,(H,20,22).
What are the key properties of 3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one?
3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one has a molecular weight of 297.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one is sourced from PubChem (CID 91830839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).