5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile

C22H21FN4O — CID 22017560

IUPAC5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2ccc(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C22H21FN4O/c23-19-4-1-16(2-5-19)7-8-26-9-11-27(12-10-26)22(28)17-3-6-21-20(13-17)18(14-24)15-25-21/h1-6,13,15,25H,7-12H2
InChIKeyILEABBIDWSYPMB-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.18
Rot. Bonds4

About 5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile

5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile (PubChem CID 22017560) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile
PubChem CID22017560
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2ccc(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C22H21FN4O/c23-19-4-1-16(2-5-19)7-8-26-9-11-27(12-10-26)22(28)17-3-6-21-20(13-17)18(14-24)15-25-21/h1-6,13,15,25H,7-12H2
InChIKeyILEABBIDWSYPMB-UHFFFAOYSA-N
XLogP3.18
TPSA63.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile?
The IUPAC name of 5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile (CID 22017560) is 5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile.
What is the SMILES notation for 5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile?
The canonical SMILES for 5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile is N#Cc1c[nH]c2ccc(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cc12.
What is the InChIKey of 5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile?
The InChIKey is ILEABBIDWSYPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-19-4-1-16(2-5-19)7-8-26-9-11-27(12-10-26)22(28)17-3-6-21-20(13-17)18(14-24)15-25-21/h1-6,13,15,25H,7-12H2.
What are the key properties of 5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile?
5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile has a molecular weight of 376.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile is sourced from PubChem (CID 22017560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).