2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile

C24H25FN4 — CID 25165455

IUPAC2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C2CCC(c3c[nH]c4ccc(F)cc34)C2)CC1
InChIInChI=1S/C24H25FN4/c25-19-6-8-23-21(14-19)22(16-27-23)17-5-7-20(13-17)28-9-11-29(12-10-28)24-4-2-1-3-18(24)15-26/h1-4,6,8,14,16-17,20,27H,5,7,9-13H2
InChIKeyUEIMGOKXHVBPHU-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.64
Rot. Bonds3

About 2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile

2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile (PubChem CID 25165455) has the molecular formula C24H25FN4 and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
PubChem CID25165455
Molecular FormulaC24H25FN4
Molecular Weight388.49 g/mol
Exact Mass388.21
IUPAC Name2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C2CCC(c3c[nH]c4ccc(F)cc34)C2)CC1
InChIInChI=1S/C24H25FN4/c25-19-6-8-23-21(14-19)22(16-27-23)17-5-7-20(13-17)28-9-11-29(12-10-28)24-4-2-1-3-18(24)15-26/h1-4,6,8,14,16-17,20,27H,5,7,9-13H2
InChIKeyUEIMGOKXHVBPHU-UHFFFAOYSA-N
XLogP4.64
TPSA46.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
CID 25165845
3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile
CID 10333844
5-methoxy-3-[3-(4-phenylpiperazin-1-yl)cyclopentyl]-1H-indole
CID 25166033
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole
CID 25165253
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917
3-[4-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-1H-indole-5-carbonitrile
CID 10200109
ethane;8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
CID 142006380
2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 152768012
4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 18416538
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-fluorobenzonitrile
CID 79025974
2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 134036774

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile (CID 25165455) is 2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile is N#Cc1ccccc1N1CCN(C2CCC(c3c[nH]c4ccc(F)cc34)C2)CC1.
What is the InChIKey of 2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile?
The InChIKey is UEIMGOKXHVBPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4/c25-19-6-8-23-21(14-19)22(16-27-23)17-5-7-20(13-17)28-9-11-29(12-10-28)24-4-2-1-3-18(24)15-26/h1-4,6,8,14,16-17,20,27H,5,7,9-13H2.
What are the key properties of 2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile?
2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile has a molecular weight of 388.49 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 25165455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).