3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid

C18H23N3O3 — CID 4648254

IUPAC3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid
SMILESCCCN1CCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N3O3/c1-2-7-20-8-10-21(11-9-20)16(22)12-14-13-5-3-4-6-15(13)19-17(14)18(23)24/h3-6,19H,2,7-12H2,1H3,(H,23,24)
InChIKeyFEUGXHQHMCTFQI-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.96
Rot. Bonds5

About 3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid

3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid (PubChem CID 4648254) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid
PubChem CID4648254
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid
SMILESCCCN1CCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N3O3/c1-2-7-20-8-10-21(11-9-20)16(22)12-14-13-5-3-4-6-15(13)19-17(14)18(23)24/h3-6,19H,2,7-12H2,1H3,(H,23,24)
InChIKeyFEUGXHQHMCTFQI-UHFFFAOYSA-N
XLogP1.96
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-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-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 31853042
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate
CID 4688270
3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 22423403
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone
CID 137258836
2-(2-methyl-1H-indol-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 31987168
3-[2-(butan-2-ylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 3573688
4-[2-(2-methyl-1H-indol-3-yl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813868
1-(4-pentylpiperazin-1-yl)-2-phenylethanone
CID 113075097
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid?
The IUPAC name of 3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid (CID 4648254) is 3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid is CCCN1CCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid?
The InChIKey is FEUGXHQHMCTFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-7-20-8-10-21(11-9-20)16(22)12-14-13-5-3-4-6-15(13)19-17(14)18(23)24/h3-6,19H,2,7-12H2,1H3,(H,23,24).
What are the key properties of 3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid?
3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 4648254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).