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

C18H26N4O — CID 70715737

IUPAC3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCCCC2CCn2cccn2)c(C)c1=O
InChIInChI=1S/C18H26N4O/c1-14-12-19-17(15(2)18(14)23)13-21-9-4-3-6-16(21)7-11-22-10-5-8-20-22/h5,8,10,12,16H,3-4,6-7,9,11,13H2,1-2H3,(H,19,23)
InChIKeyYDNQYXJLHXIMTF-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.63
Rot. Bonds5

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

3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one (PubChem CID 70715737) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one
PubChem CID70715737
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCCCC2CCn2cccn2)c(C)c1=O
InChIInChI=1S/C18H26N4O/c1-14-12-19-17(15(2)18(14)23)13-21-9-4-3-6-16(21)7-11-22-10-5-8-20-22/h5,8,10,12,16H,3-4,6-7,9,11,13H2,1-2H3,(H,19,23)
InChIKeyYDNQYXJLHXIMTF-UHFFFAOYSA-N
XLogP2.63
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one (CID 70715737) is 3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one is Cc1c[nH]c(CN2CCCCC2CCn2cccn2)c(C)c1=O.
What is the InChIKey of 3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one?
The InChIKey is YDNQYXJLHXIMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-12-19-17(15(2)18(14)23)13-21-9-4-3-6-16(21)7-11-22-10-5-8-20-22/h5,8,10,12,16H,3-4,6-7,9,11,13H2,1-2H3,(H,19,23).
What are the key properties of 3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one?
3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one has a molecular weight of 314.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 70715737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).