1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone

C75H87F2N11O7S2 — CID 157199047

About 1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone

1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 157199047) has the molecular formula C75H87F2N11O7S2 and a molecular weight of 1356.72 g/mol. Its IUPAC name is 1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone
• PubChem CID: 157199047
• Molecular Formula: C75H87F2N11O7S2
• Molecular Weight: 1356.72 g/mol
• Exact Mass: 1355.62
• IUPAC Name: 1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(F)cc(F)c23)CC1.CC(=O)N1CCC(c2c[nH]c3cnccc23)CC1.Cc1ccc2c(C3=CCN(S(C)(=O)=O)CC3)c[nH]c2c1.Cn1cc(C2=CCN(S(C)(=O)=O)CC2)c2ccccc21
• InChI: InChI=1S/C16H18N2O.C15H16F2N2O.2C15H18N2O2S.C14H17N3O/c1-11-3-4-14-15(10-17-16(14)9-11)13-5-7-18(8-6-13)12(2)19;1-9(20)19-4-2-10(3-5-19)12-8-18-14-7-11(16)6-13(17)15(12)14;1-11-3-4-13-14(10-16-15(13)9-11)12-5-7-17(8-6-12)20(2,18)19;1-16-11-14(13-5-3-4-6-15(13)16)12-7-9-17(10-8-12)20(2,18)19;1-10(18)17-6-3-11(4-7-17)13-8-16-14-9-15-5-2-12(13)14/h3-5,9-10,17H,6-8H2,1-2H3;6-8,10,18H,2-5H2,1H3;3-5,9-10,16H,6-8H2,1-2H3;3-7,11H,8-10H2,1-2H3;2,5,8-9,11,16H,3-4,6-7H2,1H3
• InChIKey: AQOXDALOFGOCOD-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 216.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1356.72
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone (CID 157199047) is 1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(F)cc(F)c23)CC1.CC(=O)N1CCC(c2c[nH]c3cnccc23)CC1.Cc1ccc2c(C3=CCN(S(C)(=O)=O)CC3)c[nH]c2c1.Cn1cc(C2=CCN(S(C)(=O)=O)CC2)c2ccccc21.

What is the InChIKey of 1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone?

The InChIKey is AQOXDALOFGOCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.C15H16F2N2O.2C15H18N2O2S.C14H17N3O/c1-11-3-4-14-15(10-17-16(14)9-11)13-5-7-18(8-6-13)12(2)19;1-9(20)19-4-2-10(3-5-19)12-8-18-14-7-11(16)6-13(17)15(12)14;1-11-3-4-13-14(10-16-15(13)9-11)12-5-7-17(8-6-12)20(2,18)19;1-16-11-14(13-5-3-4-6-15(13)16)12-7-9-17(10-8-12)20(2,18)19;1-10(18)17-6-3-11(4-7-17)13-8-16-14-9-15-5-2-12(13)14/h3-5,9-10,17H,6-8H2,1-2H3;6-8,10,18H,2-5H2,1H3;3-5,9-10,16H,6-8H2,1-2H3;3-7,11H,8-10H2,1-2H3;2,5,8-9,11,16H,3-4,6-7H2,1H3.

What are the key properties of 1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone?

1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 1356.72 g/mol, XLogP of 13.32, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 157199047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).