4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone

C75H103ClN12O5S — CID 162167860

About 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone

4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone (PubChem CID 162167860) has the molecular formula C75H103ClN12O5S and a molecular weight of 1320.25 g/mol. Its IUPAC name is 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone
• PubChem CID: 162167860
• Molecular Formula: C75H103ClN12O5S
• Molecular Weight: 1320.25 g/mol
• Exact Mass: 1318.76
• IUPAC Name: 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(C(C)C)cc3[nH]ccc23)CC1(C)C.CC(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ccc23)CC1(C)C.CC1(C)CN(c2cc(C3CCCC3)cc3[nH]ccc23)CCN1S(C)(=O)=O.CNC(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1
• InChI: InChI=1S/C21H29N3O.C20H29N3O2S.C19H27N3O.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;1-20(2)14-22(10-11-23(20)26(3,24)25)19-13-16(15-6-4-5-7-15)12-18-17(19)8-9-21-18;1-13(2)15-10-17-16(6-7-20-17)18(11-15)21-8-9-22(14(3)23)19(4,5)12-21;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;8-9,12-13,15,21H,4-7,10-11,14H2,1-3H3;6-7,10-11,13,20H,8-9,12H2,1-5H3;2,5,8-10,18H,3-4,6-7H2,1H3,(H,17,20)
• InChIKey: ZNJLSIDMBODKJL-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 183.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1320.25
LogP ≤ 5	15.04
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;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone?

The IUPAC name of 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone (CID 162167860) is 4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone.

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

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

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

The InChIKey is ZNJLSIDMBODKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O.C20H29N3O2S.C19H27N3O.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;1-20(2)14-22(10-11-23(20)26(3,24)25)19-13-16(15-6-4-5-7-15)12-18-17(19)8-9-21-18;1-13(2)15-10-17-16(6-7-20-17)18(11-15)21-8-9-22(14(3)23)19(4,5)12-21;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;8-9,12-13,15,21H,4-7,10-11,14H2,1-3H3;6-7,10-11,13,20H,8-9,12H2,1-5H3;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;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone?

4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone has a molecular weight of 1320.25 g/mol, XLogP of 15.04, 8 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;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 162167860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).