2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine

C46H56Cl2N8O4S2 — CID 159065642

About 2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine

2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine (PubChem CID 159065642) has the molecular formula C46H56Cl2N8O4S2 and a molecular weight of 920.05 g/mol. Its IUPAC name is 2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine.

Molecular Properties

• Compound Name: 2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine
• PubChem CID: 159065642
• Molecular Formula: C46H56Cl2N8O4S2
• Molecular Weight: 920.05 g/mol
• Exact Mass: 918.32
• IUPAC Name: 2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine
• SMILES: CNC.C[C@@H]1CN(Cc2cccs2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)c[nH]c2cc1Cl.C[C@@H]1CN(Cc2cccs2)[C@@H](C)CN1C(=O)c1cc2cc[nH]c2cc1Cl
• InChI: InChI=1S/C24H27ClN4O3S.C20H22ClN3OS.C2H7N/c1-14-12-29(15(2)11-28(14)13-16-6-5-7-33-16)23(31)18-8-17-19(22(30)24(32)27(3)4)10-26-21(17)9-20(18)25;1-13-11-24(14(2)10-23(13)12-16-4-3-7-26-16)20(25)17-8-15-5-6-22-19(15)9-18(17)21;1-3-2/h5-10,14-15,26H,11-13H2,1-4H3;3-9,13-14,22H,10-12H2,1-2H3;3H,1-2H3/t14-,15+;13-,14+;/m00./s1
• InChIKey: JZABQSHAMAPRFA-SRGSNURESA-N
• XLogP: 8.34
• TPSA: 128.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.05
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine?

The IUPAC name of 2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine (CID 159065642) is 2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine.

What is the SMILES notation for 2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine?

The canonical SMILES for 2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine is CNC.C[C@@H]1CN(Cc2cccs2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)c[nH]c2cc1Cl.C[C@@H]1CN(Cc2cccs2)[C@@H](C)CN1C(=O)c1cc2cc[nH]c2cc1Cl.

What is the InChIKey of 2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine?

The InChIKey is JZABQSHAMAPRFA-SRGSNURESA-N. The full InChI is InChI=1S/C24H27ClN4O3S.C20H22ClN3OS.C2H7N/c1-14-12-29(15(2)11-28(14)13-16-6-5-7-33-16)23(31)18-8-17-19(22(30)24(32)27(3)4)10-26-21(17)9-20(18)25;1-13-11-24(14(2)10-23(13)12-16-4-3-7-26-16)20(25)17-8-15-5-6-22-19(15)9-18(17)21;1-3-2/h5-10,14-15,26H,11-13H2,1-4H3;3-9,13-14,22H,10-12H2,1-2H3;3H,1-2H3/t14-,15+;13-,14+;/m00./s1.

What are the key properties of 2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine?

2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine has a molecular weight of 920.05 g/mol, XLogP of 8.34, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;(6-chloro-1H-indol-5-yl)-[(2R,5S)-2,5-dimethyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;N-methylmethanamine is sourced from PubChem (CID 159065642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).