1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one

C15H19N3O — CID 9193615

IUPAC1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one
SMILESCC1CCN(Cn2ncc(=O)c3ccccc32)CC1
InChIInChI=1S/C15H19N3O/c1-12-6-8-17(9-7-12)11-18-14-5-3-2-4-13(14)15(19)10-16-18/h2-5,10,12H,6-9,11H2,1H3
InChIKeyFTMBESKOZBDWFZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.09
Rot. Bonds2

About 1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one

1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one (PubChem CID 9193615) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one
PubChem CID9193615
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one
SMILESCC1CCN(Cn2ncc(=O)c3ccccc32)CC1
InChIInChI=1S/C15H19N3O/c1-12-6-8-17(9-7-12)11-18-14-5-3-2-4-13(14)15(19)10-16-18/h2-5,10,12H,6-9,11H2,1H3
InChIKeyFTMBESKOZBDWFZ-UHFFFAOYSA-N
XLogP2.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one?
The IUPAC name of 1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one (CID 9193615) is 1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one.
What is the SMILES notation for 1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one?
The canonical SMILES for 1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one is CC1CCN(Cn2ncc(=O)c3ccccc32)CC1.
What is the InChIKey of 1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one?
The InChIKey is FTMBESKOZBDWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-6-8-17(9-7-12)11-18-14-5-3-2-4-13(14)15(19)10-16-18/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one?
1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one has a molecular weight of 257.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one is sourced from PubChem (CID 9193615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).