4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole

C70H84Cl2F3N11O6S2 — CID 159274634

About 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole

4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole (PubChem CID 159274634) has the molecular formula C70H84Cl2F3N11O6S2 and a molecular weight of 1367.55 g/mol. Its IUPAC name is 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole.

Molecular Properties

• Compound Name: 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole
• PubChem CID: 159274634
• Molecular Formula: C70H84Cl2F3N11O6S2
• Molecular Weight: 1367.55 g/mol
• Exact Mass: 1365.54
• IUPAC Name: 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole
• SMILES: CC(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ccc23)CC1(C)C.CC1(C)CC(c2cc(C(F)(F)F)cc3[nH]ccc23)CCN1S(C)(=O)=O.CNC(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)c2ccccc21
• InChI: InChI=1S/C21H29N3O.C17H16ClN3O2S.C17H21F3N2O2S.C15H18ClN3O/c1-15(25)24-11-10-23(14-21(24,2)3)20-13-17(16-6-4-5-7-16)12-19-18(20)8-9-22-19;1-24(22,23)21-9-8-20(15-4-2-3-5-16(15)21)17-11-12(18)10-14-13(17)6-7-19-14;1-16(2)10-11(5-7-22(16)25(3,23)24)14-8-12(17(18,19)20)9-15-13(14)4-6-21-15;1-17-15(20)19-6-3-10(4-7-19)13-8-11(16)9-14-12(13)2-5-18-14/h8-9,12-13,16,22H,4-7,10-11,14H2,1-3H3;2-7,10-11,19H,8-9H2,1H3;4,6,8-9,11,21H,5,7,10H2,1-3H3;2,5,8-10,18H,3-4,6-7H2,1H3,(H,17,20)
• InChIKey: KYDKYPFESCQJMH-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 197.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1367.55
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole?

The IUPAC name of 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole (CID 159274634) is 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole.

What is the SMILES notation for 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole?

The canonical SMILES for 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole is CC(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ccc23)CC1(C)C.CC1(C)CC(c2cc(C(F)(F)F)cc3[nH]ccc23)CCN1S(C)(=O)=O.CNC(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)c2ccccc21.

What is the InChIKey of 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole?

The InChIKey is KYDKYPFESCQJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O.C17H16ClN3O2S.C17H21F3N2O2S.C15H18ClN3O/c1-15(25)24-11-10-23(14-21(24,2)3)20-13-17(16-6-4-5-7-16)12-19-18(20)8-9-22-19;1-24(22,23)21-9-8-20(15-4-2-3-5-16(15)21)17-11-12(18)10-14-13(17)6-7-19-14;1-16(2)10-11(5-7-22(16)25(3,23)24)14-8-12(17(18,19)20)9-15-13(14)4-6-21-15;1-17-15(20)19-6-3-10(4-7-19)13-8-11(16)9-14-12(13)2-5-18-14/h8-9,12-13,16,22H,4-7,10-11,14H2,1-3H3;2-7,10-11,19H,8-9H2,1H3;4,6,8-9,11,21H,5,7,10H2,1-3H3;2,5,8-10,18H,3-4,6-7H2,1H3,(H,17,20).

What are the key properties of 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole?

4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole has a molecular weight of 1367.55 g/mol, XLogP of 15.46, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 159274634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).