(3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane

C30H34Cl2N2O4 — CID 143819943

About (3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane

(3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane (PubChem CID 143819943) has the molecular formula C30H34Cl2N2O4 and a molecular weight of 557.52 g/mol. Its IUPAC name is (3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane.

Molecular Properties

• Compound Name: (3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane
• PubChem CID: 143819943
• Molecular Formula: C30H34Cl2N2O4
• Molecular Weight: 557.52 g/mol
• Exact Mass: 556.19
• IUPAC Name: (3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane
• SMILES: CC.Cc1ccc(OCCO)c([C@H]2NC(=O)CC[C@]23C(=O)Nc2cc(Cl)ccc23)c1.Cc1cccc(Cl)c1
• InChI: InChI=1S/C21H21ClN2O4.C7H7Cl.C2H6/c1-12-2-5-17(28-9-8-25)14(10-12)19-21(7-6-18(26)24-19)15-4-3-13(22)11-16(15)23-20(21)27;1-6-3-2-4-7(8)5-6;1-2/h2-5,10-11,19,25H,6-9H2,1H3,(H,23,27)(H,24,26);2-5H,1H3;1-2H3/t19-,21-;;/m1../s1
• InChIKey: KPROXPSRUZPZSB-YYMFTFNESA-N
• XLogP: 6.54
• TPSA: 87.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.52
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane?

The IUPAC name of (3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane (CID 143819943) is (3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane.

What is the SMILES notation for (3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane?

The canonical SMILES for (3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane is CC.Cc1ccc(OCCO)c([C@H]2NC(=O)CC[C@]23C(=O)Nc2cc(Cl)ccc23)c1.Cc1cccc(Cl)c1.

What is the InChIKey of (3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane?

The InChIKey is KPROXPSRUZPZSB-YYMFTFNESA-N. The full InChI is InChI=1S/C21H21ClN2O4.C7H7Cl.C2H6/c1-12-2-5-17(28-9-8-25)14(10-12)19-21(7-6-18(26)24-19)15-4-3-13(22)11-16(15)23-20(21)27;1-6-3-2-4-7(8)5-6;1-2/h2-5,10-11,19,25H,6-9H2,1H3,(H,23,27)(H,24,26);2-5H,1H3;1-2H3/t19-,21-;;/m1../s1.

What are the key properties of (3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane?

(3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane has a molecular weight of 557.52 g/mol, XLogP of 6.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane is sourced from PubChem (CID 143819943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).