(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione

C14H15N3O2 — CID 166633207

IUPAC(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione
SMILESC=c1[nH]c(=O)/c(=C/c2ccc(N(C)C)cc2)[nH]c1=O
InChIInChI=1S/C14H15N3O2/c1-9-13(18)16-12(14(19)15-9)8-10-4-6-11(7-5-10)17(2)3/h4-8H,1H2,2-3H3,(H,15,19)(H,16,18)/b12-8-
InChIKeyBNIRJNXVKBPDOW-WQLSENKSSA-N
MW257.29 g/mol
LogP-0.63
Rot. Bonds2

About (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione (PubChem CID 166633207) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione
PubChem CID166633207
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione
SMILESC=c1[nH]c(=O)/c(=C/c2ccc(N(C)C)cc2)[nH]c1=O
InChIInChI=1S/C14H15N3O2/c1-9-13(18)16-12(14(19)15-9)8-10-4-6-11(7-5-10)17(2)3/h4-8H,1H2,2-3H3,(H,15,19)(H,16,18)/b12-8-
InChIKeyBNIRJNXVKBPDOW-WQLSENKSSA-N
XLogP-0.63
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 90759632
3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione
CID 3830190
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
3-[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]propanenitrile
CID 2133547
3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]propanenitrile
CID 2133548
(3Z,6Z)-3-[(4-chlorophenyl)methylidene]-6-ethylidenepiperazine-2,5-dione
CID 98537622
2-benzyl-4-[[4-(dimethylamino)phenyl]methylidene]-5-methylidenepyrazolidin-3-one
CID 4047190
5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 23740525
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258
3-benzylidene-6-propylidenepiperazine-2,5-dione
CID 3866178
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazolidine-2,4-dione
CID 70294018
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione
CID 44627216

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione?
The IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione (CID 166633207) is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione.
What is the SMILES notation for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione?
The canonical SMILES for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione is C=c1[nH]c(=O)/c(=C/c2ccc(N(C)C)cc2)[nH]c1=O.
What is the InChIKey of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione?
The InChIKey is BNIRJNXVKBPDOW-WQLSENKSSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-13(18)16-12(14(19)15-9)8-10-4-6-11(7-5-10)17(2)3/h4-8H,1H2,2-3H3,(H,15,19)(H,16,18)/b12-8-.
What are the key properties of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione?
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione has a molecular weight of 257.29 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione is sourced from PubChem (CID 166633207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).