3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione

C16H18N2O2 — CID 73188500

IUPAC3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione
SMILESCC(C)C=c1c(=O)[nH]c(=Cc2ccccc2)c(=O)n1C
InChIInChI=1S/C16H18N2O2/c1-11(2)9-14-15(19)17-13(16(20)18(14)3)10-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,19)
InChIKeyCTZGZVHXTTYHAK-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.34
Rot. Bonds2

About 3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione

3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione (PubChem CID 73188500) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione
PubChem CID73188500
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione
SMILESCC(C)C=c1c(=O)[nH]c(=Cc2ccccc2)c(=O)n1C
InChIInChI=1S/C16H18N2O2/c1-11(2)9-14-15(19)17-13(16(20)18(14)3)10-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,19)
InChIKeyCTZGZVHXTTYHAK-UHFFFAOYSA-N
XLogP0.34
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tentoxin
CID 5281143
Albonoursin
CID 6109346
3-dimethylamino-4-(3,5-dimethylbenzyl)-5-ethyl-6-methylpyridin-2(1H)-one
CID 481016
(E)-3-[3-[[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]phenyl]prop-2-enenitrile
CID 6480023
4-[(2E)-3-phenylprop-2-enoyl]piperazin-2-one
CID 753621
(2E)-1-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 835862
3-(diethylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486837
3-(dimethylamino)-5-ethyl-6-methyl-4-(m-tolylmethyl)-1H-pyridin-2-one
CID 486838
3-(dimethylamino)-5-ethyl-6-methyl-4-(o-tolylmethyl)-1H-pyridin-2-one
CID 486839
3-(dimethylamino)-5-ethyl-6-methyl-4-(p-tolylmethyl)-1H-pyridin-2-one
CID 486843
3-(dimethylamino)-4-[(2,3-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486845
4-benzyl-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486846

Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione?
The IUPAC name of 3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione (CID 73188500) is 3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione.
What is the SMILES notation for 3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione?
The canonical SMILES for 3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione is CC(C)C=c1c(=O)[nH]c(=Cc2ccccc2)c(=O)n1C.
What is the InChIKey of 3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione?
The InChIKey is CTZGZVHXTTYHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(2)9-14-15(19)17-13(16(20)18(14)3)10-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,19).
What are the key properties of 3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione?
3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione has a molecular weight of 270.33 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-1-methyl-6-(2-methylpropylidene)piperazine-2,5-dione is sourced from PubChem (CID 73188500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).