3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid

C16H21N3O2 — CID 83947210

IUPAC3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(CCCN3CCNCC3)c2c1
InChIInChI=1S/C16H21N3O2/c20-16(21)12-3-4-15-14(10-12)13(11-18-15)2-1-7-19-8-5-17-6-9-19/h3-4,10-11,17-18H,1-2,5-9H2,(H,20,21)
InChIKeyXNOXWTBXWXJRKW-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.70
Rot. Bonds5

About 3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid

3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid (PubChem CID 83947210) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
PubChem CID83947210
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(CCCN3CCNCC3)c2c1
InChIInChI=1S/C16H21N3O2/c20-16(21)12-3-4-15-14(10-12)13(11-18-15)2-1-7-19-8-5-17-6-9-19/h3-4,10-11,17-18H,1-2,5-9H2,(H,20,21)
InChIKeyXNOXWTBXWXJRKW-UHFFFAOYSA-N
XLogP1.70
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
5-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole-6-carboxylic acid
CID 83947109
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
CID 19921669
3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936443
1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
CID 83946944
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936429
3-(3-cyanopropyl)-1H-indole-5-carboxylic acid
CID 71661534
(4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone
CID 141125371
3-[4-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67713635
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
3-[4-[3-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19786740

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid?
The IUPAC name of 3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid (CID 83947210) is 3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid is O=C(O)c1ccc2[nH]cc(CCCN3CCNCC3)c2c1.
What is the InChIKey of 3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid?
The InChIKey is XNOXWTBXWXJRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-16(21)12-3-4-15-14(10-12)13(11-18-15)2-1-7-19-8-5-17-6-9-19/h3-4,10-11,17-18H,1-2,5-9H2,(H,20,21).
What are the key properties of 3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid?
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 83947210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).