(3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one

C14H16N2O2 — CID 6382951

IUPAC(3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one
SMILESCc1ccc(C(=O)/C=C2\NCC(C)NC2=O)cc1
InChIInChI=1S/C14H16N2O2/c1-9-3-5-11(6-4-9)13(17)7-12-14(18)16-10(2)8-15-12/h3-7,10,15H,8H2,1-2H3,(H,16,18)/b12-7-
InChIKeyHDXHTXLZVQLIJF-GHXNOFRVSA-N
MW244.29 g/mol
LogP1.17
Rot. Bonds2

About (3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one

(3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one (PubChem CID 6382951) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one.

Molecular Properties

Compound Name(3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one
PubChem CID6382951
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one
SMILESCc1ccc(C(=O)/C=C2\NCC(C)NC2=O)cc1
InChIInChI=1S/C14H16N2O2/c1-9-3-5-11(6-4-9)13(17)7-12-14(18)16-10(2)8-15-12/h3-7,10,15H,8H2,1-2H3,(H,16,18)/b12-7-
InChIKeyHDXHTXLZVQLIJF-GHXNOFRVSA-N
XLogP1.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Piperazinone, 3-(2-(4-methylphenyl)-2-oxoethylidene)-
CID 702997
Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)-
CID 752768
Piperazinone, 3-(2-(4-chlorophenyl)-2-oxoethylidene)-
CID 1885197
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]prop-2-enenitrile
CID 6480025
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]but-2-enenitrile
CID 6480054
3-[2-(4-Fluorophenyl)-2-oxoethylidene]-2-piperazinone
CID 752789
N-Cyclopentyl-2-[4-(4-methyl-benzoyl)-piperidin-1-yl]-acetamide
CID 1438298
Cyclo(6,7-en-Pro-L-Phe)
CID 11694412
diphenylalazine A
CID 44614255
Cordiarimide A
CID 46831112
Piperazinone, 3-(2-oxo-2-phenylethylidene)-
CID 686674
cyclo(dehydrophenylalanyl-L-leucyl)
CID 6865700

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one?
The IUPAC name of (3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one (CID 6382951) is (3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one.
What is the SMILES notation for (3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one?
The canonical SMILES for (3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one is Cc1ccc(C(=O)/C=C2\NCC(C)NC2=O)cc1.
What is the InChIKey of (3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one?
The InChIKey is HDXHTXLZVQLIJF-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-3-5-11(6-4-9)13(17)7-12-14(18)16-10(2)8-15-12/h3-7,10,15H,8H2,1-2H3,(H,16,18)/b12-7-.
What are the key properties of (3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one?
(3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one is sourced from PubChem (CID 6382951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).