4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide

C32H32Cl3FN4O2 — CID 151666546

About 4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide

4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 151666546) has the molecular formula C32H32Cl3FN4O2 and a molecular weight of 629.99 g/mol. Its IUPAC name is 4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide
• PubChem CID: 151666546
• Molecular Formula: C32H32Cl3FN4O2
• Molecular Weight: 629.99 g/mol
• Exact Mass: 628.16
• IUPAC Name: 4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide
• SMILES: CN(C)C(=O)N1CCC(Oc2ccc(Cl)c(F)c2[C@@H]2NCC[C@@H](c3cccc(Cl)c3)[C@]23C=Nc2cc(Cl)ccc23)CC1
• InChI: InChI=1S/C32H32Cl3FN4O2/c1-39(2)31(41)40-14-11-22(12-15-40)42-27-9-8-25(35)29(36)28(27)30-32(18-38-26-17-21(34)6-7-24(26)32)23(10-13-37-30)19-4-3-5-20(33)16-19/h3-9,16-18,22-23,30,37H,10-15H2,1-2H3/t23-,30-,32-/m0/s1
• InChIKey: QXQMGVOYAIDUQJ-MCESMFKASA-N
• XLogP: 7.78
• TPSA: 57.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.99
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide?

The IUPAC name of 4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide (CID 151666546) is 4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide?

The canonical SMILES for 4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(Oc2ccc(Cl)c(F)c2[C@@H]2NCC[C@@H](c3cccc(Cl)c3)[C@]23C=Nc2cc(Cl)ccc23)CC1.

What is the InChIKey of 4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide?

The InChIKey is QXQMGVOYAIDUQJ-MCESMFKASA-N. The full InChI is InChI=1S/C32H32Cl3FN4O2/c1-39(2)31(41)40-14-11-22(12-15-40)42-27-9-8-25(35)29(36)28(27)30-32(18-38-26-17-21(34)6-7-24(26)32)23(10-13-37-30)19-4-3-5-20(33)16-19/h3-9,16-18,22-23,30,37H,10-15H2,1-2H3/t23-,30-,32-/m0/s1.

What are the key properties of 4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide?

4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 629.99 g/mol, XLogP of 7.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 151666546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).