3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole

C17H23N3 — CID 82305689

IUPAC3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole
SMILESC/C(=C\CCN1CCNCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3/c1-14(5-4-10-20-11-8-18-9-12-20)16-13-19-17-7-3-2-6-15(16)17/h2-3,5-7,13,18-19H,4,8-12H2,1H3/b14-5+
InChIKeyPJLWCPITUWTOPM-LHHJGKSTSA-N
MW269.39 g/mol
LogP2.87
Rot. Bonds4

About 3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole

3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole (PubChem CID 82305689) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole.

Molecular Properties

Compound Name3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole
PubChem CID82305689
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole
SMILESC/C(=C\CCN1CCNCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3/c1-14(5-4-10-20-11-8-18-9-12-20)16-13-19-17-7-3-2-6-15(16)17/h2-3,5-7,13,18-19H,4,8-12H2,1H3/b14-5+
InChIKeyPJLWCPITUWTOPM-LHHJGKSTSA-N
XLogP2.87
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(1H-indol-3-yl)but-2-en-1-amine
CID 75355351
3-(4-piperazin-1-ylbutan-2-yl)-1H-indole
CID 82300146
1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane
CID 82297615
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one
CID 26304691
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
CID 96679275
(E)-1,3-bis(1H-indol-3-yl)-N-methylbut-2-en-1-imine
CID 142337439
3-piperazin-1-yl-1H-indole
CID 19379845
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole?
The IUPAC name of 3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole (CID 82305689) is 3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole.
What is the SMILES notation for 3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole?
The canonical SMILES for 3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole is C/C(=C\CCN1CCNCC1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole?
The InChIKey is PJLWCPITUWTOPM-LHHJGKSTSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(5-4-10-20-11-8-18-9-12-20)16-13-19-17-7-3-2-6-15(16)17/h2-3,5-7,13,18-19H,4,8-12H2,1H3/b14-5+.
What are the key properties of 3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole?
3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole has a molecular weight of 269.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole is sourced from PubChem (CID 82305689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).