[5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone

C82H81Cl6F2N9O6 — CID 159203607

About [5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone

[5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone (PubChem CID 159203607) has the molecular formula C82H81Cl6F2N9O6 and a molecular weight of 1539.32 g/mol. Its IUPAC name is [5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone.

Molecular Properties

• Compound Name: [5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone
• PubChem CID: 159203607
• Molecular Formula: C82H81Cl6F2N9O6
• Molecular Weight: 1539.32 g/mol
• Exact Mass: 1535.44
• IUPAC Name: [5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone
• SMILES: Cc1ccc(OCCN2CCC3(CC2)CN(C(=O)c2ccnc(Cl)c2)c2ccc(Cl)cc23)cc1.O=C(c1ccnc(Cl)c1)N1CC2(CCN(CCCCOc3ccc(F)cc3)CC2)c2cc(Cl)ccc21.O=C(c1ccnc(Cl)c1)N1CC2(CCN(CCCOc3ccc(F)cc3)CC2)c2cc(Cl)ccc21
• InChI: InChI=1S/C28H28Cl2FN3O2.C27H26Cl2FN3O2.C27H27Cl2N3O2/c29-21-3-8-25-24(18-21)28(19-34(25)27(35)20-9-12-32-26(30)17-20)10-14-33(15-11-28)13-1-2-16-36-23-6-4-22(31)5-7-23;28-20-2-7-24-23(17-20)27(18-33(24)26(34)19-8-11-31-25(29)16-19)9-13-32(14-10-27)12-1-15-35-22-5-3-21(30)4-6-22;1-19-2-5-22(6-3-19)34-15-14-31-12-9-27(10-13-31)18-32(24-7-4-21(28)17-23(24)27)26(33)20-8-11-30-25(29)16-20/h3-9,12,17-18H,1-2,10-11,13-16,19H2;2-8,11,16-17H,1,9-10,12-15,18H2;2-8,11,16-17H,9-10,12-15,18H2,1H3
• InChIKey: KPPFGBPYQBUALS-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 137.01 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1539.32
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone?

The IUPAC name of [5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone (CID 159203607) is [5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone.

What is the SMILES notation for [5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone?

The canonical SMILES for [5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone is Cc1ccc(OCCN2CCC3(CC2)CN(C(=O)c2ccnc(Cl)c2)c2ccc(Cl)cc23)cc1.O=C(c1ccnc(Cl)c1)N1CC2(CCN(CCCCOc3ccc(F)cc3)CC2)c2cc(Cl)ccc21.O=C(c1ccnc(Cl)c1)N1CC2(CCN(CCCOc3ccc(F)cc3)CC2)c2cc(Cl)ccc21.

What is the InChIKey of [5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone?

The InChIKey is KPPFGBPYQBUALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2FN3O2.C27H26Cl2FN3O2.C27H27Cl2N3O2/c29-21-3-8-25-24(18-21)28(19-34(25)27(35)20-9-12-32-26(30)17-20)10-14-33(15-11-28)13-1-2-16-36-23-6-4-22(31)5-7-23;28-20-2-7-24-23(17-20)27(18-33(24)26(34)19-8-11-31-25(29)16-19)9-13-32(14-10-27)12-1-15-35-22-5-3-21(30)4-6-22;1-19-2-5-22(6-3-19)34-15-14-31-12-9-27(10-13-31)18-32(24-7-4-21(28)17-23(24)27)26(33)20-8-11-30-25(29)16-20/h3-9,12,17-18H,1-2,10-11,13-16,19H2;2-8,11,16-17H,1,9-10,12-15,18H2;2-8,11,16-17H,9-10,12-15,18H2,1H3.

What are the key properties of [5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone?

[5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone has a molecular weight of 1539.32 g/mol, XLogP of 18.14, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [5-chloro-1'-[4-(4-fluorophenoxy)butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[3-(4-fluorophenoxy)propyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;[5-chloro-1'-[2-(4-methylphenoxy)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 159203607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).