2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide

C20H17N3O3 — CID 67851583

IUPAC2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide
SMILESCn1c(=O)/c(=C/c2ccccc2)[nH]c(=O)/c1=C/c1ccccc1C(N)=O
InChIInChI=1S/C20H17N3O3/c1-23-17(12-14-9-5-6-10-15(14)18(21)24)19(25)22-16(20(23)26)11-13-7-3-2-4-8-13/h2-12H,1H3,(H2,21,24)(H,22,25)/b16-11-,17-12-
InChIKeyMUTGFHLPWKHJET-LSQIQBGYSA-N
MW347.37 g/mol
LogP-0.17
Rot. Bonds3

About 2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide

2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide (PubChem CID 67851583) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide.

Molecular Properties

Compound Name2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide
PubChem CID67851583
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide
SMILESCn1c(=O)/c(=C/c2ccccc2)[nH]c(=O)/c1=C/c1ccccc1C(N)=O
InChIInChI=1S/C20H17N3O3/c1-23-17(12-14-9-5-6-10-15(14)18(21)24)19(25)22-16(20(23)26)11-13-7-3-2-4-8-13/h2-12H,1H3,(H2,21,24)(H,22,25)/b16-11-,17-12-
InChIKeyMUTGFHLPWKHJET-LSQIQBGYSA-N
XLogP-0.17
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide?
The IUPAC name of 2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide (CID 67851583) is 2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide.
What is the SMILES notation for 2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide?
The canonical SMILES for 2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide is Cn1c(=O)/c(=C/c2ccccc2)[nH]c(=O)/c1=C/c1ccccc1C(N)=O.
What is the InChIKey of 2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide?
The InChIKey is MUTGFHLPWKHJET-LSQIQBGYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-23-17(12-14-9-5-6-10-15(14)18(21)24)19(25)22-16(20(23)26)11-13-7-3-2-4-8-13/h2-12H,1H3,(H2,21,24)(H,22,25)/b16-11-,17-12-.
What are the key properties of 2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide?
2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide has a molecular weight of 347.37 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide is sourced from PubChem (CID 67851583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).