(3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione

C19H16N2O2 — CID 6439298

IUPAC(3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione
SMILESCn1c(=O)/c(=C/c2ccccc2)[nH]c(=O)/c1=C/c1ccccc1
InChIInChI=1S/C19H16N2O2/c1-21-17(13-15-10-6-3-7-11-15)18(22)20-16(19(21)23)12-14-8-4-2-5-9-14/h2-13H,1H3,(H,20,22)/b16-12-,17-13-
InChIKeyDILBTCUXPAXMSM-MCOFMCJXSA-N
MW304.35 g/mol
LogP0.73
Rot. Bonds2

About (3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione

(3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione (PubChem CID 6439298) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione
PubChem CID6439298
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione
SMILESCn1c(=O)/c(=C/c2ccccc2)[nH]c(=O)/c1=C/c1ccccc1
InChIInChI=1S/C19H16N2O2/c1-21-17(13-15-10-6-3-7-11-15)18(22)20-16(19(21)23)12-14-8-4-2-5-9-14/h2-13H,1H3,(H,20,22)/b16-12-,17-13-
InChIKeyDILBTCUXPAXMSM-MCOFMCJXSA-N
XLogP0.73
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-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 (3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione (CID 6439298) is (3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione is Cn1c(=O)/c(=C/c2ccccc2)[nH]c(=O)/c1=C/c1ccccc1.
What is the InChIKey of (3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione?
The InChIKey is DILBTCUXPAXMSM-MCOFMCJXSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-21-17(13-15-10-6-3-7-11-15)18(22)20-16(19(21)23)12-14-8-4-2-5-9-14/h2-13H,1H3,(H,20,22)/b16-12-,17-13-.
What are the key properties of (3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione?
(3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione has a molecular weight of 304.35 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 6439298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).