4-indol-1-ylpiperazine-1-carboxylic acid

C13H15N3O2 — CID 174415288

IUPAC4-indol-1-ylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(n2ccc3ccccc32)CC1
InChIInChI=1S/C13H15N3O2/c17-13(18)14-7-9-15(10-8-14)16-6-5-11-3-1-2-4-12(11)16/h1-6H,7-10H2,(H,17,18)
InChIKeySURBJMOMTJCIPJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.57
Rot. Bonds1

About 4-indol-1-ylpiperazine-1-carboxylic acid

4-indol-1-ylpiperazine-1-carboxylic acid (PubChem CID 174415288) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-indol-1-ylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-indol-1-ylpiperazine-1-carboxylic acid
PubChem CID174415288
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-indol-1-ylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(n2ccc3ccccc32)CC1
InChIInChI=1S/C13H15N3O2/c17-13(18)14-7-9-15(10-8-14)16-6-5-11-3-1-2-4-12(11)16/h1-6H,7-10H2,(H,17,18)
InChIKeySURBJMOMTJCIPJ-UHFFFAOYSA-N
XLogP1.57
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 68470
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1H-Indole-1-propionic acid
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Indol-1-yl-prop-2-ynyl-pyridin-4-yl-amine
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Ethyl-indol-1-yl-pyridin-4-yl-amine
CID 10561859
Indol-1-yl-methyl-pyridin-4-yl-amine
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Butyl-indol-1-yl-pyridin-4-yl-amine
CID 10801657
(2-Indol-1-yl-ethyl)-dimethyl-amine
CID 15893127
N-Propionylindole
CID 52373
Binedaline
CID 42510
N,N-Diethyl-1H-indole-1-ethanamine
CID 51575

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-ylpiperazine-1-carboxylic acid?
The IUPAC name of 4-indol-1-ylpiperazine-1-carboxylic acid (CID 174415288) is 4-indol-1-ylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-indol-1-ylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-indol-1-ylpiperazine-1-carboxylic acid is O=C(O)N1CCN(n2ccc3ccccc32)CC1.
What is the InChIKey of 4-indol-1-ylpiperazine-1-carboxylic acid?
The InChIKey is SURBJMOMTJCIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)14-7-9-15(10-8-14)16-6-5-11-3-1-2-4-12(11)16/h1-6H,7-10H2,(H,17,18).
What are the key properties of 4-indol-1-ylpiperazine-1-carboxylic acid?
4-indol-1-ylpiperazine-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-ylpiperazine-1-carboxylic acid is sourced from PubChem (CID 174415288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).