1H-indol-4-yl piperazine-1-carboxylate

C13H15N3O2 — CID 152749012

IUPAC1H-indol-4-yl piperazine-1-carboxylate
SMILESO=C(Oc1cccc2[nH]ccc12)N1CCNCC1
InChIInChI=1S/C13H15N3O2/c17-13(16-8-6-14-7-9-16)18-12-3-1-2-11-10(12)4-5-15-11/h1-5,14-15H,6-9H2
InChIKeyZTVOMTGFJFKOCS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.57
Rot. Bonds1

About 1H-indol-4-yl piperazine-1-carboxylate

1H-indol-4-yl piperazine-1-carboxylate (PubChem CID 152749012) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1H-indol-4-yl piperazine-1-carboxylate.

Molecular Properties

Compound Name1H-indol-4-yl piperazine-1-carboxylate
PubChem CID152749012
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1H-indol-4-yl piperazine-1-carboxylate
SMILESO=C(Oc1cccc2[nH]ccc12)N1CCNCC1
InChIInChI=1S/C13H15N3O2/c17-13(16-8-6-14-7-9-16)18-12-3-1-2-11-10(12)4-5-15-11/h1-5,14-15H,6-9H2
InChIKeyZTVOMTGFJFKOCS-UHFFFAOYSA-N
XLogP1.57
TPSA57.36 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl piperazine-1-carboxylate?
The IUPAC name of 1H-indol-4-yl piperazine-1-carboxylate (CID 152749012) is 1H-indol-4-yl piperazine-1-carboxylate.
What is the SMILES notation for 1H-indol-4-yl piperazine-1-carboxylate?
The canonical SMILES for 1H-indol-4-yl piperazine-1-carboxylate is O=C(Oc1cccc2[nH]ccc12)N1CCNCC1.
What is the InChIKey of 1H-indol-4-yl piperazine-1-carboxylate?
The InChIKey is ZTVOMTGFJFKOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(16-8-6-14-7-9-16)18-12-3-1-2-11-10(12)4-5-15-11/h1-5,14-15H,6-9H2.
What are the key properties of 1H-indol-4-yl piperazine-1-carboxylate?
1H-indol-4-yl piperazine-1-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl piperazine-1-carboxylate is sourced from PubChem (CID 152749012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).