1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one

C67H87F2N9O3 — CID 87500274

About 1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one

1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 87500274) has the molecular formula C67H87F2N9O3 and a molecular weight of 1104.49 g/mol. Its IUPAC name is 1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

• Compound Name: 1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
• PubChem CID: 87500274
• Molecular Formula: C67H87F2N9O3
• Molecular Weight: 1104.49 g/mol
• Exact Mass: 1103.69
• IUPAC Name: 1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
• SMILES: Cc1ccc(N2CCN(CCCn3ccc4c3CCCC4=O)CC2)c(C)c1.Cc1ccc(N2CCN(CCn3ccc4c3CCCC4=O)CC2)c(C)c1.O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(F)cc2F)CC1
• InChI: InChI=1S/C23H31N3O.C22H27F2N3O.C22H29N3O/c1-18-7-8-21(19(2)17-18)26-15-13-24(14-16-26)10-4-11-25-12-9-20-22(25)5-3-6-23(20)27;23-17-6-7-21(19(24)16-17)27-14-12-25(13-15-27)9-1-2-10-26-11-8-18-20(26)4-3-5-22(18)28;1-17-6-7-20(18(2)16-17)25-14-11-23(12-15-25)10-13-24-9-8-19-21(24)4-3-5-22(19)26/h7-9,12,17H,3-6,10-11,13-16H2,1-2H3;6-8,11,16H,1-5,9-10,12-15H2;6-9,16H,3-5,10-15H2,1-2H3
• InChIKey: YTEIZBVVJHYCFH-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 85.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1104.49
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?

The IUPAC name of 1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one (CID 87500274) is 1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one.

What is the SMILES notation for 1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?

The canonical SMILES for 1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one is Cc1ccc(N2CCN(CCCn3ccc4c3CCCC4=O)CC2)c(C)c1.Cc1ccc(N2CCN(CCn3ccc4c3CCCC4=O)CC2)c(C)c1.O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(F)cc2F)CC1.

What is the InChIKey of 1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?

The InChIKey is YTEIZBVVJHYCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O.C22H27F2N3O.C22H29N3O/c1-18-7-8-21(19(2)17-18)26-15-13-24(14-16-26)10-4-11-25-12-9-20-22(25)5-3-6-23(20)27;23-17-6-7-21(19(24)16-17)27-14-12-25(13-15-27)9-1-2-10-26-11-8-18-20(26)4-3-5-22(18)28;1-17-6-7-20(18(2)16-17)25-14-11-23(12-15-25)10-13-24-9-8-19-21(24)4-3-5-22(19)26/h7-9,12,17H,3-6,10-11,13-16H2,1-2H3;6-8,11,16H,1-5,9-10,12-15H2;6-9,16H,3-5,10-15H2,1-2H3.

What are the key properties of 1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?

1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 1104.49 g/mol, XLogP of 11.17, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 87500274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).