1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid

C17H23N3O3 — CID 118726278

IUPAC1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid
SMILESCN1CCN(CC(O)Cn2cc(C(=O)O)c3ccccc32)CC1
InChIInChI=1S/C17H23N3O3/c1-18-6-8-19(9-7-18)10-13(21)11-20-12-15(17(22)23)14-4-2-3-5-16(14)20/h2-5,12-13,21H,6-11H2,1H3,(H,22,23)
InChIKeyFZBGHMKUJJAGBT-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.95
Rot. Bonds5

About 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid

1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid (PubChem CID 118726278) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid
PubChem CID118726278
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid
SMILESCN1CCN(CC(O)Cn2cc(C(=O)O)c3ccccc32)CC1
InChIInChI=1S/C17H23N3O3/c1-18-6-8-19(9-7-18)10-13(21)11-20-12-15(17(22)23)14-4-2-3-5-16(14)20/h2-5,12-13,21H,6-11H2,1H3,(H,22,23)
InChIKeyFZBGHMKUJJAGBT-UHFFFAOYSA-N
XLogP0.95
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid?
The IUPAC name of 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid (CID 118726278) is 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid?
The canonical SMILES for 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid is CN1CCN(CC(O)Cn2cc(C(=O)O)c3ccccc32)CC1.
What is the InChIKey of 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid?
The InChIKey is FZBGHMKUJJAGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-18-6-8-19(9-7-18)10-13(21)11-20-12-15(17(22)23)14-4-2-3-5-16(14)20/h2-5,12-13,21H,6-11H2,1H3,(H,22,23).
What are the key properties of 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid?
1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxylic acid is sourced from PubChem (CID 118726278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).