2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole

C20H30N4 — CID 86304928

IUPAC2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCN1CCN(CCCCN2CCn3c(cc4ccccc43)C2)CC1
InChIInChI=1S/C20H30N4/c1-21-10-12-22(13-11-21)8-4-5-9-23-14-15-24-19(17-23)16-18-6-2-3-7-20(18)24/h2-3,6-7,16H,4-5,8-15,17H2,1H3
InChIKeyHFCNQWUXRLPYHH-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.48
Rot. Bonds5

About 2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole

2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 86304928) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID86304928
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCN1CCN(CCCCN2CCn3c(cc4ccccc43)C2)CC1
InChIInChI=1S/C20H30N4/c1-21-10-12-22(13-11-21)8-4-5-9-23-14-15-24-19(17-23)16-18-6-2-3-7-20(18)24/h2-3,6-7,16H,4-5,8-15,17H2,1H3
InChIKeyHFCNQWUXRLPYHH-UHFFFAOYSA-N
XLogP2.48
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole 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 2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 86304928) is 2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole is CN1CCN(CCCCN2CCn3c(cc4ccccc43)C2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is HFCNQWUXRLPYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-21-10-12-22(13-11-21)8-4-5-9-23-14-15-24-19(17-23)16-18-6-2-3-7-20(18)24/h2-3,6-7,16H,4-5,8-15,17H2,1H3.
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 326.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)butyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 86304928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).