[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone

C24H26N2O — CID 1220326

IUPAC[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
SMILESCc1ccccc1-c1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)c2ccccc2n1
InChIInChI=1S/C24H26N2O/c1-16-9-4-5-12-19(16)23-15-21(20-13-6-7-14-22(20)25-23)24(27)26-17(2)10-8-11-18(26)3/h4-7,9,12-15,17-18H,8,10-11H2,1-3H3/t17-,18+
InChIKeyFBRAENZVFVJJQV-HDICACEKSA-N
MW358.49 g/mol
LogP5.61
Rot. Bonds2

About [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone

[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone (PubChem CID 1220326) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
PubChem CID1220326
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
SMILESCc1ccccc1-c1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)c2ccccc2n1
InChIInChI=1S/C24H26N2O/c1-16-9-4-5-12-19(16)23-15-21(20-13-6-7-14-22(20)25-23)24(27)26-17(2)10-8-11-18(26)3/h4-7,9,12-15,17-18H,8,10-11H2,1-3H3/t17-,18+
InChIKeyFBRAENZVFVJJQV-HDICACEKSA-N
XLogP5.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43319697
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250
[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560497
(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119373566
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
[1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55950320
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866923

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone (CID 1220326) is [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone is Cc1ccccc1-c1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)c2ccccc2n1.
What is the InChIKey of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone?
The InChIKey is FBRAENZVFVJJQV-HDICACEKSA-N. The full InChI is InChI=1S/C24H26N2O/c1-16-9-4-5-12-19(16)23-15-21(20-13-6-7-14-22(20)25-23)24(27)26-17(2)10-8-11-18(26)3/h4-7,9,12-15,17-18H,8,10-11H2,1-3H3/t17-,18+.
What are the key properties of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone?
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 1220326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).