3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one

C22H30N2O — CID 91511862

IUPAC3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C22H30N2O/c25-22-20(16-18-8-6-7-11-21(18)23-22)17-12-14-24(15-13-17)19-9-4-2-1-3-5-10-19/h6-8,11,16-17,19H,1-5,9-10,12-15H2,(H,23,25)
InChIKeySETKEDHRYYBTGG-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.82
Rot. Bonds2

About 3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one

3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one (PubChem CID 91511862) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one
PubChem CID91511862
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C22H30N2O/c25-22-20(16-18-8-6-7-11-21(18)23-22)17-12-14-24(15-13-17)19-9-4-2-1-3-5-10-19/h6-8,11,16-17,19H,1-5,9-10,12-15H2,(H,23,25)
InChIKeySETKEDHRYYBTGG-UHFFFAOYSA-N
XLogP4.82
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one
CID 71197765
3-cyclohept-4-en-1-yl-1H-quinolin-2-one
CID 71197719
3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one
CID 91475456
3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84621897
4-(1-cyclooctylpiperidin-4-yl)-1H-quinoxaline-2,3-dione
CID 25134073
ethyl 6-[4-(2-oxo-1H-quinolin-3-yl)piperidin-1-yl]pyrimidine-4-carboxylate
CID 58386736
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
2-cyclohexyl-1H-indole
CID 607977
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole
CID 162247631
3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one
CID 58386660
N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
CID 44524833
4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde
CID 143577325

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one (CID 91511862) is 3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1C1CCN(C2CCCCCCC2)CC1.
What is the InChIKey of 3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one?
The InChIKey is SETKEDHRYYBTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-22-20(16-18-8-6-7-11-21(18)23-22)17-12-14-24(15-13-17)19-9-4-2-1-3-5-10-19/h6-8,11,16-17,19H,1-5,9-10,12-15H2,(H,23,25).
What are the key properties of 3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one?
3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one has a molecular weight of 338.50 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 91511862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).