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

C21H25F2N3O — CID 67312804

IUPAC1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCN1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C21H25F2N3O/c22-18-6-5-16(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/h5-7,10,15H,1-4,8-9,11-14H2
InChIKeyAXUKSEGRDSUDLK-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.50
Rot. Bonds5

About 1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-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 67312804) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
PubChem CID67312804
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCN1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C21H25F2N3O/c22-18-6-5-16(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/h5-7,10,15H,1-4,8-9,11-14H2
InChIKeyAXUKSEGRDSUDLK-UHFFFAOYSA-N
XLogP3.50
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one with MolForge

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Related Compounds

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-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one
CID 67313523
1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 67312056
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-(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-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one
CID 11361631
1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 173099539
1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one
CID 66966905
1-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one
CID 67314069
3-[4-(3,4-difluorophenyl)piperazin-1-yl]propanoic acid
CID 82488130
1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one
CID 114124699
N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide
CID 114175400

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one (CID 67312804) is 1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is AXUKSEGRDSUDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O/c22-18-6-5-16(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/h5-7,10,15H,1-4,8-9,11-14H2.
What are the key properties of 1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-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 373.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 67312804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).