(6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione

C15H16N2O5 — CID 166636144

IUPAC(6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione
SMILESC=c1[nH]c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)[nH]c1=O
InChIInChI=1S/C15H16N2O5/c1-8-14(18)17-10(15(19)16-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h5-7H,1H2,2-4H3,(H,16,19)(H,17,18)/b10-5-
InChIKeyWPYDNRNPFPAYDX-YHYXMXQVSA-N
MW304.30 g/mol
LogP-0.67
Rot. Bonds4

About (6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione

(6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione (PubChem CID 166636144) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is (6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione
PubChem CID166636144
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name(6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione
SMILESC=c1[nH]c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)[nH]c1=O
InChIInChI=1S/C15H16N2O5/c1-8-14(18)17-10(15(19)16-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h5-7H,1H2,2-4H3,(H,16,19)(H,17,18)/b10-5-
InChIKeyWPYDNRNPFPAYDX-YHYXMXQVSA-N
XLogP-0.67
TPSA93.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-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 (6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione?
The IUPAC name of (6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione (CID 166636144) is (6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione is C=c1[nH]c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)[nH]c1=O.
What is the InChIKey of (6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione?
The InChIKey is WPYDNRNPFPAYDX-YHYXMXQVSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-8-14(18)17-10(15(19)16-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h5-7H,1H2,2-4H3,(H,16,19)(H,17,18)/b10-5-.
What are the key properties of (6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione?
(6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione has a molecular weight of 304.30 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 166636144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).