(3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione

C18H15N5O4 — CID 89117515

IUPAC(3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione
SMILESC=C(C)c1nc[nH]c1/C=c1\[nH]c(=O)/c(=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O
InChIInChI=1S/C18H15N5O4/c1-10(2)16-13(19-9-20-16)8-15-18(25)21-14(17(24)22-15)7-11-3-5-12(6-4-11)23(26)27/h3-9H,1H2,2H3,(H,19,20)(H,21,25)(H,22,24)/b14-7-,15-8-
InChIKeyONKQIIGJOGOJQG-UOUVAZQYSA-N
MW365.35 g/mol
LogP0.39
Rot. Bonds4

About (3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione

(3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione (PubChem CID 89117515) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is (3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione
PubChem CID89117515
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name(3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione
SMILESC=C(C)c1nc[nH]c1/C=c1\[nH]c(=O)/c(=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O
InChIInChI=1S/C18H15N5O4/c1-10(2)16-13(19-9-20-16)8-15-18(25)21-14(17(24)22-15)7-11-3-5-12(6-4-11)23(26)27/h3-9H,1H2,2H3,(H,19,20)(H,21,25)(H,22,24)/b14-7-,15-8-
InChIKeyONKQIIGJOGOJQG-UOUVAZQYSA-N
XLogP0.39
TPSA137.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)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

Related Compounds

3-[(4-nitrophenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
CID 3401142
1-acetyl-3,5-bis[(4-nitrophenyl)methylidene]piperidin-4-one
CID 123323719
(3E,5E)-1-acetyl-3,5-bis[(4-nitrophenyl)methylidene]piperidin-4-one
CID 129085544
5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide
CID 135539369
4-amino-5-[(4-nitrophenyl)methylideneamino]-1H-pyrimidin-6-one
CID 135412518
5-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-6-one
CID 39354303
2-(3,4-dimethylphenyl)-5-methylidene-4-[(4-nitrophenyl)methylidene]pyrazolidin-3-one
CID 3325750
3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione
CID 3830190
ethyl (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxopiperidine-1-carboxylate
CID 24829077
(3Z,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
CID 6368502
5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole
CID 67601463
3,5-bis[(4-nitrophenyl)methylidene]-1-propan-2-ylpiperidin-4-one
CID 3625549

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione (CID 89117515) is (3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione is C=C(C)c1nc[nH]c1/C=c1\[nH]c(=O)/c(=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O.
What is the InChIKey of (3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione?
The InChIKey is ONKQIIGJOGOJQG-UOUVAZQYSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-10(2)16-13(19-9-20-16)8-15-18(25)21-14(17(24)22-15)7-11-3-5-12(6-4-11)23(26)27/h3-9H,1H2,2H3,(H,19,20)(H,21,25)(H,22,24)/b14-7-,15-8-.
What are the key properties of (3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione?
(3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione has a molecular weight of 365.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-[(4-nitrophenyl)methylidene]-6-[(4-prop-1-en-2-yl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 89117515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).