7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid

C19H27N3O2 — CID 83947882

IUPAC7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(CCCN3CCNCC3)cn(C)c12
InChIInChI=1S/C19H27N3O2/c1-3-14-11-16(19(23)24)12-17-15(13-21(2)18(14)17)5-4-8-22-9-6-20-7-10-22/h11-13,20H,3-10H2,1-2H3,(H,23,24)
InChIKeyKZHGKWIUIOEERB-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.28
Rot. Bonds6

About 7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid

7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid (PubChem CID 83947882) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
PubChem CID83947882
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(CCCN3CCNCC3)cn(C)c12
InChIInChI=1S/C19H27N3O2/c1-3-14-11-16(19(23)24)12-17-15(13-21(2)18(14)17)5-4-8-22-9-6-20-7-10-22/h11-13,20H,3-10H2,1-2H3,(H,23,24)
InChIKeyKZHGKWIUIOEERB-UHFFFAOYSA-N
XLogP2.28
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
CID 83946944
3-butyl-1-methyl-7-propan-2-ylindole-5-carboxylic acid
CID 83945764
7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 95432844
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
1-methyl-3-(2-piperazin-1-ylethyl)-5-propan-2-ylindole-7-carboxylic acid
CID 83947991
1-ethyl-3-(3-piperazin-1-ylpropyl)indole-7-carboxylic acid
CID 83947745
1,6-dimethyl-3-(2-piperazin-1-ylethyl)indole-7-carboxylic acid
CID 83948015
1-methyl-3-(2-piperazin-1-ylethyl)indole-7-carboxylic acid
CID 83947755
7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947876
2-[5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetic acid
CID 83947404
1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
CID 83945927
7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864404

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid?
The IUPAC name of 7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid (CID 83947882) is 7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid.
What is the SMILES notation for 7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid?
The canonical SMILES for 7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid is CCc1cc(C(=O)O)cc2c(CCCN3CCNCC3)cn(C)c12.
What is the InChIKey of 7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid?
The InChIKey is KZHGKWIUIOEERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-14-11-16(19(23)24)12-17-15(13-21(2)18(14)17)5-4-8-22-9-6-20-7-10-22/h11-13,20H,3-10H2,1-2H3,(H,23,24).
What are the key properties of 7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid?
7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid is sourced from PubChem (CID 83947882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).