piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone

C18H22N2O — CID 46291566

IUPACpiperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
SMILESCc1cc(C)c2nc(C)cc(C(=O)N3CCCCC3)c2c1
InChIInChI=1S/C18H22N2O/c1-12-9-13(2)17-15(10-12)16(11-14(3)19-17)18(21)20-7-5-4-6-8-20/h9-11H,4-8H2,1-3H3
InChIKeyWXBWTWWDJOZUIH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.79
Rot. Bonds1

About piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone

piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone (PubChem CID 46291566) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
PubChem CID46291566
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Namepiperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
SMILESCc1cc(C)c2nc(C)cc(C(=O)N3CCCCC3)c2c1
InChIInChI=1S/C18H22N2O/c1-12-9-13(2)17-15(10-12)16(11-14(3)19-17)18(21)20-7-5-4-6-8-20/h9-11H,4-8H2,1-3H3
InChIKeyWXBWTWWDJOZUIH-UHFFFAOYSA-N
XLogP3.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 70782397
2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 46291561
[(3aS,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 70726410
[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 133125911
(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46291536
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 119152117
(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74249309
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 133120312
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone
CID 119380047
(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone?
The IUPAC name of piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone (CID 46291566) is piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone?
The canonical SMILES for piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone is Cc1cc(C)c2nc(C)cc(C(=O)N3CCCCC3)c2c1.
What is the InChIKey of piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone?
The InChIKey is WXBWTWWDJOZUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-9-13(2)17-15(10-12)16(11-14(3)19-17)18(21)20-7-5-4-6-8-20/h9-11H,4-8H2,1-3H3.
What are the key properties of piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone?
piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone has a molecular weight of 282.39 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone is sourced from PubChem (CID 46291566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).