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

C63H78Cl3N9O3 — CID 87615273

IUPAC1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(Cl)cc2)CC1.O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(Cl)cc2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H28ClN3O.C21H26ClN3O.C20H24ClN3O/c23-18-6-8-19(9-7-18)25-16-14-24(15-17-25)11-1-2-12-26-13-10-20-21(26)4-3-5-22(20)27;22-17-5-7-18(8-6-17)24-15-13-23(14-16-24)10-2-11-25-12-9-19-20(25)3-1-4-21(19)26;21-16-4-6-17(7-5-16)23-13-10-22(11-14-23)12-15-24-9-8-18-19(24)2-1-3-20(18)25/h6-10,13H,1-5,11-12,14-17H2;5-9,12H,1-4,10-11,13-16H2;4-9H,1-3,10-15H2
InChIKeyQVJDDHHCMNJEFU-UHFFFAOYSA-N
MW1115.74 g/mol
LogP11.62
Rot. Bonds15

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

1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 87615273) has the molecular formula C63H78Cl3N9O3 and a molecular weight of 1115.74 g/mol. Its IUPAC name is 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
PubChem CID87615273
Molecular FormulaC63H78Cl3N9O3
Molecular Weight1115.74 g/mol
Exact Mass1113.53
IUPAC Name1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(Cl)cc2)CC1.O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(Cl)cc2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H28ClN3O.C21H26ClN3O.C20H24ClN3O/c23-18-6-8-19(9-7-18)25-16-14-24(15-17-25)11-1-2-12-26-13-10-20-21(26)4-3-5-22(20)27;22-17-5-7-18(8-6-17)24-15-13-23(14-16-24)10-2-11-25-12-9-19-20(25)3-1-4-21(19)26;21-16-4-6-17(7-5-16)23-13-10-22(11-14-23)12-15-24-9-8-18-19(24)2-1-3-20(18)25/h6-10,13H,1-5,11-12,14-17H2;5-9,12H,1-4,10-11,13-16H2;4-9H,1-3,10-15H2
InChIKeyQVJDDHHCMNJEFU-UHFFFAOYSA-N
XLogP11.62
TPSA85.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001115.74
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one (CID 87615273) is 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(Cl)cc2)CC1.O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(Cl)cc2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is QVJDDHHCMNJEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O.C21H26ClN3O.C20H24ClN3O/c23-18-6-8-19(9-7-18)25-16-14-24(15-17-25)11-1-2-12-26-13-10-20-21(26)4-3-5-22(20)27;22-17-5-7-18(8-6-17)24-15-13-23(14-16-24)10-2-11-25-12-9-19-20(25)3-1-4-21(19)26;21-16-4-6-17(7-5-16)23-13-10-22(11-14-23)12-15-24-9-8-18-19(24)2-1-3-20(18)25/h6-10,13H,1-5,11-12,14-17H2;5-9,12H,1-4,10-11,13-16H2;4-9H,1-3,10-15H2.
What are the key properties of 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 1115.74 g/mol, XLogP of 11.62, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 87615273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).