2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone

C72H90F9N9O3 — CID 157470407

IUPAC2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone
SMILESCC1CC(c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)CC2CCN(C)CC2)C1.C[C@@H]1C[C@H](c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)CC2CCN(C)CC2)C1.C[C@H]1C[C@@H](c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)CC2CCN(C)CC2)C1
InChIInChI=1S/3C24H30F3N3O/c3*1-16-12-18(15-30(14-16)22(31)13-17-7-10-29(2)11-8-17)19-5-6-21(24(25,26)27)23-20(19)4-3-9-28-23/h3*3-6,9,16-18H,7-8,10-15H2,1-2H3/t2*16-,18+;/m10./s1
InChIKeyBUYUKTOWINYNGO-WREMYDICSA-N
MW1300.55 g/mol
LogP14.81
Rot. Bonds9

About 2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone

2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone (PubChem CID 157470407) has the molecular formula C72H90F9N9O3 and a molecular weight of 1300.55 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone
PubChem CID157470407
Molecular FormulaC72H90F9N9O3
Molecular Weight1300.55 g/mol
Exact Mass1299.70
IUPAC Name2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone
SMILESCC1CC(c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)CC2CCN(C)CC2)C1.C[C@@H]1C[C@H](c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)CC2CCN(C)CC2)C1.C[C@H]1C[C@@H](c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)CC2CCN(C)CC2)C1
InChIInChI=1S/3C24H30F3N3O/c3*1-16-12-18(15-30(14-16)22(31)13-17-7-10-29(2)11-8-17)19-5-6-21(24(25,26)27)23-20(19)4-3-9-28-23/h3*3-6,9,16-18H,7-8,10-15H2,1-2H3/t2*16-,18+;/m10./s1
InChIKeyBUYUKTOWINYNGO-WREMYDICSA-N
XLogP14.81
TPSA109.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001300.55
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo(h)(1,6)naphthyridin-2(1H)-one
CID 49836027
1-(4-(4-(cyclopropanecarbonyl)piperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49780811
1-(4-(4-(2-(4-methylpiperazin-1-yl)acetyl)piperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49780813
1-(4-(4-Acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 45254032
3-Methyl-1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one
CID 46191571
1-(4-(4-(3-(dimethylamino)propanoyl)piperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49780812
1-[4-[4-(4-Methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 49781042
1-(4-(1-propionyl-1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49781043
3-methyl-1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49781256
4-methyl-1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49781257
N-(1-Methylpiperidin-4-yl)-4'-(2-oxo-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-1(2H)-yl)-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxamide
CID 53308041
N-methyl-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 56673417

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone (CID 157470407) is 2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone is CC1CC(c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)CC2CCN(C)CC2)C1.C[C@@H]1C[C@H](c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)CC2CCN(C)CC2)C1.C[C@H]1C[C@@H](c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)CC2CCN(C)CC2)C1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone?
The InChIKey is BUYUKTOWINYNGO-WREMYDICSA-N. The full InChI is InChI=1S/3C24H30F3N3O/c3*1-16-12-18(15-30(14-16)22(31)13-17-7-10-29(2)11-8-17)19-5-6-21(24(25,26)27)23-20(19)4-3-9-28-23/h3*3-6,9,16-18H,7-8,10-15H2,1-2H3/t2*16-,18+;/m10./s1.
What are the key properties of 2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone?
2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone has a molecular weight of 1300.55 g/mol, XLogP of 14.81, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1-[(3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone;2-(1-methylpiperidin-4-yl)-1-[3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 157470407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).