3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one

C86H104N16O9S2 — CID 158995883

About 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one

3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one (PubChem CID 158995883) has the molecular formula C86H104N16O9S2 and a molecular weight of 1570.01 g/mol. Its IUPAC name is 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one.

Molecular Properties

• Compound Name: 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one
• PubChem CID: 158995883
• Molecular Formula: C86H104N16O9S2
• Molecular Weight: 1570.01 g/mol
• Exact Mass: 1568.76
• IUPAC Name: 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one
• SMILES: CC1(C)CN(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.CC1CC2CN(c3c[nH]c4ccccc34)CCN2C1=O.CN1CCN(c2c[nH]c3ccccc23)CC1=O.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)C(O)C1.O=C1CCC2CN(c3c[nH]c4ccccc34)CCN12.O=C1CCCN(c2c[nH]c3ccccc23)C1
• InChI: InChI=1S/C16H19N3O.C15H21N3O2S.C15H17N3O.C14H18N2O3S.C13H15N3O.C13H14N2O/c1-11-8-12-10-18(6-7-19(12)16(11)20)15-9-17-14-5-3-2-4-13(14)15;1-15(2)11-17(8-9-18(15)21(3,19)20)14-10-16-13-7-5-4-6-12(13)14;19-15-6-5-11-10-17(7-8-18(11)15)14-9-16-13-4-2-1-3-12(13)14;1-20(18,19)16-7-6-11(14(17)9-16)12-8-15-13-5-3-2-4-10(12)13;1-15-6-7-16(9-13(15)17)12-8-14-11-5-3-2-4-10(11)12;16-10-4-3-7-15(9-10)13-8-14-12-6-2-1-5-11(12)13/h2-5,9,11-12,17H,6-8,10H2,1H3;4-7,10,16H,8-9,11H2,1-3H3;1-4,9,11,16H,5-8,10H2;2-5,8,11,14-15,17H,6-7,9H2,1H3;2-5,8,14H,6-7,9H2,1H3;1-2,5-6,8,14H,3-4,7,9H2
• InChIKey: JQSRRLRVFFRKHN-UHFFFAOYSA-N
• XLogP: 11.29
• TPSA: 283.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1570.01
LogP ≤ 5	11.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one?

The IUPAC name of 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one (CID 158995883) is 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one.

What is the SMILES notation for 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one?

The canonical SMILES for 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one is CC1(C)CN(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.CC1CC2CN(c3c[nH]c4ccccc34)CCN2C1=O.CN1CCN(c2c[nH]c3ccccc23)CC1=O.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)C(O)C1.O=C1CCC2CN(c3c[nH]c4ccccc34)CCN12.O=C1CCCN(c2c[nH]c3ccccc23)C1.

What is the InChIKey of 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one?

The InChIKey is JQSRRLRVFFRKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.C15H21N3O2S.C15H17N3O.C14H18N2O3S.C13H15N3O.C13H14N2O/c1-11-8-12-10-18(6-7-19(12)16(11)20)15-9-17-14-5-3-2-4-13(14)15;1-15(2)11-17(8-9-18(15)21(3,19)20)14-10-16-13-7-5-4-6-12(13)14;19-15-6-5-11-10-17(7-8-18(11)15)14-9-16-13-4-2-1-3-12(13)14;1-20(18,19)16-7-6-11(14(17)9-16)12-8-15-13-5-3-2-4-10(12)13;1-15-6-7-16(9-13(15)17)12-8-14-11-5-3-2-4-10(11)12;16-10-4-3-7-15(9-10)13-8-14-12-6-2-1-5-11(12)13/h2-5,9,11-12,17H,6-8,10H2,1H3;4-7,10,16H,8-9,11H2,1-3H3;1-4,9,11,16H,5-8,10H2;2-5,8,11,14-15,17H,6-7,9H2,1H3;2-5,8,14H,6-7,9H2,1H3;1-2,5-6,8,14H,3-4,7,9H2.

What are the key properties of 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one?

3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one has a molecular weight of 1570.01 g/mol, XLogP of 11.29, 8 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-(1H-indol-3-yl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one is sourced from PubChem (CID 158995883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).