1-(2-piperidin-3-ylethyl)cinnolin-4-one

C15H19N3O — CID 62356873

IUPAC1-(2-piperidin-3-ylethyl)cinnolin-4-one
SMILESO=c1cnn(CCC2CCCNC2)c2ccccc12
InChIInChI=1S/C15H19N3O/c19-15-11-17-18(14-6-2-1-5-13(14)15)9-7-12-4-3-8-16-10-12/h1-2,5-6,11-12,16H,3-4,7-10H2
InChIKeyUYQLYCKQGUBKLP-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.79
Rot. Bonds3

About 1-(2-piperidin-3-ylethyl)cinnolin-4-one

1-(2-piperidin-3-ylethyl)cinnolin-4-one (PubChem CID 62356873) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2-piperidin-3-ylethyl)cinnolin-4-one.

Molecular Properties

Compound Name1-(2-piperidin-3-ylethyl)cinnolin-4-one
PubChem CID62356873
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(2-piperidin-3-ylethyl)cinnolin-4-one
SMILESO=c1cnn(CCC2CCCNC2)c2ccccc12
InChIInChI=1S/C15H19N3O/c19-15-11-17-18(14-6-2-1-5-13(14)15)9-7-12-4-3-8-16-10-12/h1-2,5-6,11-12,16H,3-4,7-10H2
InChIKeyUYQLYCKQGUBKLP-UHFFFAOYSA-N
XLogP1.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(morpholin-2-ylmethyl)cinnolin-4-one
CID 64535063
3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943
1-[3-(cyclopentylamino)propyl]cinnolin-4-one
CID 62566372
6-methyl-2-(2-piperidin-3-ylethyl)pyridazin-3-one
CID 62922662
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride
CID 120956611
N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 94632802
6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one
CID 105061827
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
1-(2-amino-2-cyclohexylethyl)cinnolin-4-one
CID 104747367
4-fluoro-1-(2-piperidin-3-ylethyl)indole
CID 82792919
1-[3-[(2S)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 94637302
1-[(4-methylpiperidin-1-yl)methyl]cinnolin-4-one
CID 9193615

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-3-ylethyl)cinnolin-4-one?
The IUPAC name of 1-(2-piperidin-3-ylethyl)cinnolin-4-one (CID 62356873) is 1-(2-piperidin-3-ylethyl)cinnolin-4-one.
What is the SMILES notation for 1-(2-piperidin-3-ylethyl)cinnolin-4-one?
The canonical SMILES for 1-(2-piperidin-3-ylethyl)cinnolin-4-one is O=c1cnn(CCC2CCCNC2)c2ccccc12.
What is the InChIKey of 1-(2-piperidin-3-ylethyl)cinnolin-4-one?
The InChIKey is UYQLYCKQGUBKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15-11-17-18(14-6-2-1-5-13(14)15)9-7-12-4-3-8-16-10-12/h1-2,5-6,11-12,16H,3-4,7-10H2.
What are the key properties of 1-(2-piperidin-3-ylethyl)cinnolin-4-one?
1-(2-piperidin-3-ylethyl)cinnolin-4-one has a molecular weight of 257.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-3-ylethyl)cinnolin-4-one is sourced from PubChem (CID 62356873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).