(3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C26H24Cl2N2O2 — CID 143538414

About (3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

(3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 143538414) has the molecular formula C26H24Cl2N2O2 and a molecular weight of 467.40 g/mol. Its IUPAC name is (3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

• Compound Name: (3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
• PubChem CID: 143538414
• Molecular Formula: C26H24Cl2N2O2
• Molecular Weight: 467.40 g/mol
• Exact Mass: 466.12
• IUPAC Name: (3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
• SMILES: CC1CC=CC=C1C1C(C)C(=O)N[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
• InChI: InChI=1S/C26H24Cl2N2O2/c1-14-6-3-4-9-19(14)22-15(2)24(31)30-23(16-7-5-8-17(27)12-16)26(22)20-11-10-18(28)13-21(20)29-25(26)32/h3-5,7-15,22-23H,6H2,1-2H3,(H,29,32)(H,30,31)/t14?,15?,22?,23-,26+/m0/s1
• InChIKey: ABQXQPDGSXJJDH-DPUALGAKSA-N
• XLogP: 5.83
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.40
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

The IUPAC name of (3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 143538414) is (3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

What is the SMILES notation for (3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

The canonical SMILES for (3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is CC1CC=CC=C1C1C(C)C(=O)N[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.

What is the InChIKey of (3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

The InChIKey is ABQXQPDGSXJJDH-DPUALGAKSA-N. The full InChI is InChI=1S/C26H24Cl2N2O2/c1-14-6-3-4-9-19(14)22-15(2)24(31)30-23(16-7-5-8-17(27)12-16)26(22)20-11-10-18(28)13-21(20)29-25(26)32/h3-5,7-15,22-23H,6H2,1-2H3,(H,29,32)(H,30,31)/t14?,15?,22?,23-,26+/m0/s1.

What are the key properties of (3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

(3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 467.40 g/mol, XLogP of 5.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 143538414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).