(3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

C29H28Cl2N2O2 — CID 23962072

About (3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

(3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 23962072) has the molecular formula C29H28Cl2N2O2 and a molecular weight of 507.46 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

• Compound Name: (3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
• PubChem CID: 23962072
• Molecular Formula: C29H28Cl2N2O2
• Molecular Weight: 507.46 g/mol
• Exact Mass: 506.15
• IUPAC Name: (3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
• SMILES: COc1ccc2c(c1)C1(CCN(CC=Cc3ccccc3)CC1)CN2C(=O)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C29H28Cl2N2O2/c1-35-23-10-12-27-24(19-23)29(20-33(27)28(34)22-9-11-25(30)26(31)18-22)13-16-32(17-14-29)15-5-8-21-6-3-2-4-7-21/h2-12,18-19H,13-17,20H2,1H3
• InChIKey: RFJBLMWIVCVYDT-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.46
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The IUPAC name of (3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 23962072) is (3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

What is the SMILES notation for (3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The canonical SMILES for (3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is COc1ccc2c(c1)C1(CCN(CC=Cc3ccccc3)CC1)CN2C(=O)c1ccc(Cl)c(Cl)c1.

What is the InChIKey of (3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The InChIKey is RFJBLMWIVCVYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N2O2/c1-35-23-10-12-27-24(19-23)29(20-33(27)28(34)22-9-11-25(30)26(31)18-22)13-16-32(17-14-29)15-5-8-21-6-3-2-4-7-21/h2-12,18-19H,13-17,20H2,1H3.

What are the key properties of (3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

(3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 507.46 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 23962072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).