1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one

C18H26N2O — CID 83199167

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCCc2ccccc21)C1CCCNC1
InChIInChI=1S/C18H26N2O/c1-18(2,15-9-5-11-19-13-15)17(21)20-12-6-8-14-7-3-4-10-16(14)20/h3-4,7,10,15,19H,5-6,8-9,11-13H2,1-2H3
InChIKeyDGVNOEDZAKCKBW-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.99
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one (PubChem CID 83199167) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
PubChem CID83199167
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCCc2ccccc21)C1CCCNC1
InChIInChI=1S/C18H26N2O/c1-18(2,15-9-5-11-19-13-15)17(21)20-12-6-8-14-7-3-4-10-16(14)20/h3-4,7,10,15,19H,5-6,8-9,11-13H2,1-2H3
InChIKeyDGVNOEDZAKCKBW-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate
CID 142775986
N,2-dimethyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83031422
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83032479
1-(4-acetylpiperazin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropane-1,3-dione
CID 108961236
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 119312008
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611187
1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107219375
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190
1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106637154

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one (CID 83199167) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one is CC(C)(C(=O)N1CCCc2ccccc21)C1CCCNC1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The InChIKey is DGVNOEDZAKCKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2,15-9-5-11-19-13-15)17(21)20-12-6-8-14-7-3-4-10-16(14)20/h3-4,7,10,15,19H,5-6,8-9,11-13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one has a molecular weight of 286.42 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 83199167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).