3-(7-methoxy-1H-indol-3-yl)piperazin-2-one

C13H15N3O2 — CID 82622610

IUPAC3-(7-methoxy-1H-indol-3-yl)piperazin-2-one
SMILESCOc1cccc2c(C3NCCNC3=O)c[nH]c12
InChIInChI=1S/C13H15N3O2/c1-18-10-4-2-3-8-9(7-16-11(8)10)12-13(17)15-6-5-14-12/h2-4,7,12,14,16H,5-6H2,1H3,(H,15,17)
InChIKeyMPZZBWRZSGHSGI-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.94
Rot. Bonds2

About 3-(7-methoxy-1H-indol-3-yl)piperazin-2-one

3-(7-methoxy-1H-indol-3-yl)piperazin-2-one (PubChem CID 82622610) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(7-methoxy-1H-indol-3-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(7-methoxy-1H-indol-3-yl)piperazin-2-one
PubChem CID82622610
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(7-methoxy-1H-indol-3-yl)piperazin-2-one
SMILESCOc1cccc2c(C3NCCNC3=O)c[nH]c12
InChIInChI=1S/C13H15N3O2/c1-18-10-4-2-3-8-9(7-16-11(8)10)12-13(17)15-6-5-14-12/h2-4,7,12,14,16H,5-6H2,1H3,(H,15,17)
InChIKeyMPZZBWRZSGHSGI-UHFFFAOYSA-N
XLogP0.94
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(7-methoxy-1H-indol-3-yl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1H-indol-3-yl)piperazin-2-one?
The IUPAC name of 3-(7-methoxy-1H-indol-3-yl)piperazin-2-one (CID 82622610) is 3-(7-methoxy-1H-indol-3-yl)piperazin-2-one.
What is the SMILES notation for 3-(7-methoxy-1H-indol-3-yl)piperazin-2-one?
The canonical SMILES for 3-(7-methoxy-1H-indol-3-yl)piperazin-2-one is COc1cccc2c(C3NCCNC3=O)c[nH]c12.
What is the InChIKey of 3-(7-methoxy-1H-indol-3-yl)piperazin-2-one?
The InChIKey is MPZZBWRZSGHSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-10-4-2-3-8-9(7-16-11(8)10)12-13(17)15-6-5-14-12/h2-4,7,12,14,16H,5-6H2,1H3,(H,15,17).
What are the key properties of 3-(7-methoxy-1H-indol-3-yl)piperazin-2-one?
3-(7-methoxy-1H-indol-3-yl)piperazin-2-one has a molecular weight of 245.28 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1H-indol-3-yl)piperazin-2-one is sourced from PubChem (CID 82622610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).