4-(1H-indol-6-yl)piperazine-1-carboxylic acid

C13H15N3O2 — CID 66955061

IUPAC4-(1H-indol-6-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C13H15N3O2/c17-13(18)16-7-5-15(6-8-16)11-2-1-10-3-4-14-12(10)9-11/h1-4,9,14H,5-8H2,(H,17,18)
InChIKeyPGXZNLFEBCHYIV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.97
Rot. Bonds1

About 4-(1H-indol-6-yl)piperazine-1-carboxylic acid

4-(1H-indol-6-yl)piperazine-1-carboxylic acid (PubChem CID 66955061) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(1H-indol-6-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indol-6-yl)piperazine-1-carboxylic acid
PubChem CID66955061
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(1H-indol-6-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C13H15N3O2/c17-13(18)16-7-5-15(6-8-16)11-2-1-10-3-4-14-12(10)9-11/h1-4,9,14H,5-8H2,(H,17,18)
InChIKeyPGXZNLFEBCHYIV-UHFFFAOYSA-N
XLogP1.97
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-6-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(1H-indol-6-yl)piperazine-1-carboxylic acid (CID 66955061) is 4-(1H-indol-6-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(1H-indol-6-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(1H-indol-6-yl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of 4-(1H-indol-6-yl)piperazine-1-carboxylic acid?
The InChIKey is PGXZNLFEBCHYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)16-7-5-15(6-8-16)11-2-1-10-3-4-14-12(10)9-11/h1-4,9,14H,5-8H2,(H,17,18).
What are the key properties of 4-(1H-indol-6-yl)piperazine-1-carboxylic acid?
4-(1H-indol-6-yl)piperazine-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-6-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 66955061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).