(3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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

C71H89F9N10O3 — CID 159380494

IUPAC(3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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)NC2CCN(C)CC2)C1
InChIInChI=1S/2C24H30F3N3O.C23H29F3N4O/c2*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;1-15-12-16(14-30(13-15)22(31)28-17-7-10-29(2)11-8-17)18-5-6-20(23(24,25)26)21-19(18)4-3-9-27-21/h2*3-6,9,16-18H,7-8,10-15H2,1-2H3;3-6,9,15-17H,7-8,10-14H2,1-2H3,(H,28,31)/t16-,18+;;15-,16+/m1.0/s1
InChIKeyLKVNCNXBNWQZDH-YSJGSPKCSA-N
MW1301.54 g/mol
LogP14.36
Rot. Bonds8

About (3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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

(3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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 159380494) has the molecular formula C71H89F9N10O3 and a molecular weight of 1301.54 g/mol. Its IUPAC name is (3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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 Name(3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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 CID159380494
Molecular FormulaC71H89F9N10O3
Molecular Weight1301.54 g/mol
Exact Mass1300.70
IUPAC Name(3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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)NC2CCN(C)CC2)C1
InChIInChI=1S/2C24H30F3N3O.C23H29F3N4O/c2*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;1-15-12-16(14-30(13-15)22(31)28-17-7-10-29(2)11-8-17)18-5-6-20(23(24,25)26)21-19(18)4-3-9-27-21/h2*3-6,9,16-18H,7-8,10-15H2,1-2H3;3-6,9,15-17H,7-8,10-14H2,1-2H3,(H,28,31)/t16-,18+;;15-,16+/m1.0/s1
InChIKeyLKVNCNXBNWQZDH-YSJGSPKCSA-N
XLogP14.36
TPSA121.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001301.54
LogP ≤ 514.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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

4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53308042
1-[[2-[4-Benzyl-4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-ylurea
CID 155510378
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-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one
CID 46191573
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
3-[(2R)-2-amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-5-[4-(quinolin-8-ylmethyl)piperazin-1-yl]pyrimidine-2,4-dione
CID 67143625
US9877957, Example 16
CID 118930580
US9877957, Example 26
CID 118930589
US9877957, Example 11
CID 118930794
1-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-2-quinolin-5-ylethanone
CID 119098937
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-quinolin-5-ylmethanone
CID 119098938

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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 (3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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 159380494) is (3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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 (3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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 (3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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)NC2CCN(C)CC2)C1.
What is the InChIKey of (3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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 LKVNCNXBNWQZDH-YSJGSPKCSA-N. The full InChI is InChI=1S/2C24H30F3N3O.C23H29F3N4O/c2*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;1-15-12-16(14-30(13-15)22(31)28-17-7-10-29(2)11-8-17)18-5-6-20(23(24,25)26)21-19(18)4-3-9-27-21/h2*3-6,9,16-18H,7-8,10-15H2,1-2H3;3-6,9,15-17H,7-8,10-14H2,1-2H3,(H,28,31)/t16-,18+;;15-,16+/m1.0/s1.
What are the key properties of (3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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?
(3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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 1301.54 g/mol, XLogP of 14.36, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide;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 159380494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).