2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C25H32N4O2 — CID 11441559

IUPAC2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CCCN2C(=O)CN1CCCCN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C25H32N4O2/c30-24-19-28(25(31)23-11-6-14-29(23)24)13-4-3-12-26-15-17-27(18-16-26)22-10-5-8-20-7-1-2-9-21(20)22/h1-2,5,7-10,23H,3-4,6,11-19H2
InChIKeyMVBMPBOFZZZYGQ-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.58
Rot. Bonds6

About 2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 11441559) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID11441559
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CCCN2C(=O)CN1CCCCN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C25H32N4O2/c30-24-19-28(25(31)23-11-6-14-29(23)24)13-4-3-12-26-15-17-27(18-16-26)22-10-5-8-20-7-1-2-9-21(20)22/h1-2,5,7-10,23H,3-4,6,11-19H2
InChIKeyMVBMPBOFZZZYGQ-UHFFFAOYSA-N
XLogP2.58
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.58
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-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione 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-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 11441559) is 2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is O=C1C2CCCN2C(=O)CN1CCCCN1CCN(c2cccc3ccccc23)CC1.
What is the InChIKey of 2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is MVBMPBOFZZZYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-24-19-28(25(31)23-11-6-14-29(23)24)13-4-3-12-26-15-17-27(18-16-26)22-10-5-8-20-7-1-2-9-21(20)22/h1-2,5,7-10,23H,3-4,6,11-19H2.
What are the key properties of 2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 420.56 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 11441559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).