3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile

C23H26N4 — CID 58656074

IUPAC3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCN3CCN(CCc4ccccc4)CC3)c2c1
InChIInChI=1S/C23H26N4/c24-17-20-6-7-23-22(16-20)21(18-25-23)9-11-27-14-12-26(13-15-27)10-8-19-4-2-1-3-5-19/h1-7,16,18,25H,8-15H2
InChIKeyPSRKCPVDXIPOAE-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.44
Rot. Bonds6

About 3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile

3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile (PubChem CID 58656074) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
PubChem CID58656074
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCN3CCN(CCc4ccccc4)CC3)c2c1
InChIInChI=1S/C23H26N4/c24-17-20-6-7-23-22(16-20)21(18-25-23)9-11-27-14-12-26(13-15-27)10-8-19-4-2-1-3-5-19/h1-7,16,18,25H,8-15H2
InChIKeyPSRKCPVDXIPOAE-UHFFFAOYSA-N
XLogP3.44
TPSA46.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
5-ethynyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 15838488
4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]benzonitrile
CID 18975330
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 10407968
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 19438845
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 58656079
3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole
CID 67598982
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 69419961
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide
CID 175405707

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile (CID 58656074) is 3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(CCN3CCN(CCc4ccccc4)CC3)c2c1.
What is the InChIKey of 3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile?
The InChIKey is PSRKCPVDXIPOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c24-17-20-6-7-23-22(16-20)21(18-25-23)9-11-27-14-12-26(13-15-27)10-8-19-4-2-1-3-5-19/h1-7,16,18,25H,8-15H2.
What are the key properties of 3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile?
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile has a molecular weight of 358.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 58656074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).