6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid

C14H17N3O2 — CID 132843535

IUPAC6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
SMILESCN1CCN(c2ccc3cc(C(=O)O)[nH]c3c2)CC1
InChIInChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)11-3-2-10-8-13(14(18)19)15-12(10)9-11/h2-3,8-9,15H,4-7H2,1H3,(H,18,19)
InChIKeyMTUCTUPWGKPUHS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.62
Rot. Bonds2

About 6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid

6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid (PubChem CID 132843535) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
PubChem CID132843535
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
SMILESCN1CCN(c2ccc3cc(C(=O)O)[nH]c3c2)CC1
InChIInChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)11-3-2-10-8-13(14(18)19)15-12(10)9-11/h2-3,8-9,15H,4-7H2,1H3,(H,18,19)
InChIKeyMTUCTUPWGKPUHS-UHFFFAOYSA-N
XLogP1.62
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid (CID 132843535) is 6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid is CN1CCN(c2ccc3cc(C(=O)O)[nH]c3c2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid?
The InChIKey is MTUCTUPWGKPUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)11-3-2-10-8-13(14(18)19)15-12(10)9-11/h2-3,8-9,15H,4-7H2,1H3,(H,18,19).
What are the key properties of 6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid?
6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 132843535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).