N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

C62H77N9O6S2 — CID 158156936

About N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 158156936) has the molecular formula C62H77N9O6S2 and a molecular weight of 1108.49 g/mol. Its IUPAC name is N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

• Compound Name: N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
• PubChem CID: 158156936
• Molecular Formula: C62H77N9O6S2
• Molecular Weight: 1108.49 g/mol
• Exact Mass: 1107.54
• IUPAC Name: N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
• SMILES: CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.CCN(CC)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.Cc1ccc2c(C3CCN(S(C)(=O)=O)CC3)c[nH]c2c1
• InChI: InChI=1S/C18H25N3O.C15H20N2O2S.C15H16N2O.C14H16N2O2S/c1-3-20(4-2)18(22)21-11-9-14(10-12-21)16-13-19-17-8-6-5-7-15(16)17;1-11-3-4-13-14(10-16-15(13)9-11)12-5-7-17(8-6-12)20(2,18)19;1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h5-8,13-14,19H,3-4,9-12H2,1-2H3;3-4,9-10,12,16H,5-8H2,1-2H3;2-6,10,16H,7-9H2,1H3;2-6,10,15H,7-9H2,1H3
• InChIKey: FVUOFVGQRYFPDX-UHFFFAOYSA-N
• XLogP: 11.44
• TPSA: 181.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1108.49
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?

The IUPAC name of N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 158156936) is N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

What is the SMILES notation for N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?

The canonical SMILES for N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.CCN(CC)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.Cc1ccc2c(C3CCN(S(C)(=O)=O)CC3)c[nH]c2c1.

What is the InChIKey of N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?

The InChIKey is FVUOFVGQRYFPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.C15H20N2O2S.C15H16N2O.C14H16N2O2S/c1-3-20(4-2)18(22)21-11-9-14(10-12-21)16-13-19-17-8-6-5-7-15(16)17;1-11-3-4-13-14(10-16-15(13)9-11)12-5-7-17(8-6-12)20(2,18)19;1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h5-8,13-14,19H,3-4,9-12H2,1-2H3;3-4,9-10,12,16H,5-8H2,1-2H3;2-6,10,16H,7-9H2,1H3;2-6,10,15H,7-9H2,1H3.

What are the key properties of N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?

N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 1108.49 g/mol, XLogP of 11.44, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 158156936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).