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

C85H102Cl2F6N12O4 — CID 173100039

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

1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(3,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 173100039) has the molecular formula C85H102Cl2F6N12O4 and a molecular weight of 1540.72 g/mol. Its IUPAC name is 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(3,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

• Compound Name: 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(3,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
• PubChem CID: 173100039
• Molecular Formula: C85H102Cl2F6N12O4
• Molecular Weight: 1540.72 g/mol
• Exact Mass: 1538.74
• IUPAC Name: 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(3,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
• SMILES: O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1.O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(F)c(F)c2)CC1.O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(F)c(F)c2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(F)c(F)c2)CC1
• InChI: InChI=1S/C22H27Cl2N3O.C22H27F2N3O.C21H25F2N3O.C20H23F2N3O/c2*23-19-7-6-17(16-20(19)24)26-14-12-25(13-15-26)9-1-2-10-27-11-8-18-21(27)4-3-5-22(18)28;22-18-6-5-16(15-19(18)23)25-13-11-24(12-14-25)8-2-9-26-10-7-17-20(26)3-1-4-21(17)27;21-17-5-4-15(14-18(17)22)24-11-8-23(9-12-24)10-13-25-7-6-16-19(25)2-1-3-20(16)26/h2*6-8,11,16H,1-5,9-10,12-15H2;5-7,10,15H,1-4,8-9,11-14H2;4-7,14H,1-3,8-13H2
• InChIKey: WSSSALYJQZSCAB-UHFFFAOYSA-N
• XLogP: 15.41
• TPSA: 113.92 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1540.72
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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

The IUPAC name of 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(3,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one (CID 173100039) is 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(3,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one.

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

The canonical SMILES for 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(3,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1.O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(F)c(F)c2)CC1.O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(F)c(F)c2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(F)c(F)c2)CC1.

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

The InChIKey is WSSSALYJQZSCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O.C22H27F2N3O.C21H25F2N3O.C20H23F2N3O/c2*23-19-7-6-17(16-20(19)24)26-14-12-25(13-15-26)9-1-2-10-27-11-8-18-21(27)4-3-5-22(18)28;22-18-6-5-16(15-19(18)23)25-13-11-24(12-14-25)8-2-9-26-10-7-17-20(26)3-1-4-21(17)27;21-17-5-4-15(14-18(17)22)24-11-8-23(9-12-24)10-13-25-7-6-16-19(25)2-1-3-20(16)26/h2*6-8,11,16H,1-5,9-10,12-15H2;5-7,10,15H,1-4,8-9,11-14H2;4-7,14H,1-3,8-13H2.

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

1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(3,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 1540.72 g/mol, XLogP of 15.41, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(3,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 173100039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).