5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid

C14H17N3O2 — CID 83972146

IUPAC5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
SMILESCN1CCN(c2ccc3[nH]c(C(=O)O)cc3c2)CC1
InChIInChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)11-2-3-12-10(8-11)9-13(15-12)14(18)19/h2-3,8-9,15H,4-7H2,1H3,(H,18,19)
InChIKeyFCWZNNBKPGHNRA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.62
Rot. Bonds2

About 5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid

5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid (PubChem CID 83972146) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
PubChem CID83972146
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
SMILESCN1CCN(c2ccc3[nH]c(C(=O)O)cc3c2)CC1
InChIInChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)11-2-3-12-10(8-11)9-13(15-12)14(18)19/h2-3,8-9,15H,4-7H2,1H3,(H,18,19)
InChIKeyFCWZNNBKPGHNRA-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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Related Compounds

6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
CID 132843535
5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid
CID 83972129
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
3-bromo-5-(4-methylpiperazin-1-yl)benzoic acid
CID 102822638
[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
CID 45488171
5-[[(2S)-2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutanoyl]amino]-1H-indole-2-carboxylic acid
CID 175191538
ethane;1H-indole-2-carboxylic acid
CID 91052830
4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969119
5-(2-aminoacetyl)-1H-indole-2-carboxylic acid
CID 170861029
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
CID 69171507

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid (CID 83972146) is 5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid is CN1CCN(c2ccc3[nH]c(C(=O)O)cc3c2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid?
The InChIKey is FCWZNNBKPGHNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)11-2-3-12-10(8-11)9-13(15-12)14(18)19/h2-3,8-9,15H,4-7H2,1H3,(H,18,19).
What are the key properties of 5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid?
5-(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 5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 83972146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).