1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one

C23H30FN3O — CID 67313523

IUPAC1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FN3O/c24-19-7-9-20(10-8-19)26-17-15-25(16-18-26)12-2-1-3-13-27-14-11-21-22(27)5-4-6-23(21)28/h7-11,14H,1-6,12-13,15-18H2
InChIKeyBYGIYGWXKSRQNG-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.14
Rot. Bonds7

About 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one

1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 67313523) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one
PubChem CID67313523
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FN3O/c24-19-7-9-20(10-8-19)26-17-15-25(16-18-26)12-2-1-3-13-27-14-11-21-22(27)5-4-6-23(21)28/h7-11,14H,1-6,12-13,15-18H2
InChIKeyBYGIYGWXKSRQNG-UHFFFAOYSA-N
XLogP4.14
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 67312056
1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 67312804
1-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 87614502
1-[4-[4-(3,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 87614698
1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one
CID 11361631
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
1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one
CID 66966905
1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one
CID 114124699
5-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-8-hydroxy-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one
CID 10549726
N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide
CID 114175400
4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide
CID 30031547
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one (CID 67313523) is 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2CCCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is BYGIYGWXKSRQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c24-19-7-9-20(10-8-19)26-17-15-25(16-18-26)12-2-1-3-13-27-14-11-21-22(27)5-4-6-23(21)28/h7-11,14H,1-6,12-13,15-18H2.
What are the key properties of 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one?
1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 383.51 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 67313523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).