(3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione

C18H20N2O3 — CID 162657417

IUPAC(3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione
SMILESC=CCn1c(=O)/c(=C/CC)[nH]c(=O)/c1=C/c1ccc(OC)cc1
InChIInChI=1S/C18H20N2O3/c1-4-6-15-18(22)20(11-5-2)16(17(21)19-15)12-13-7-9-14(23-3)10-8-13/h5-10,12H,2,4,11H2,1,3H3,(H,19,21)/b15-6-,16-12-
InChIKeyBCMIRCZFWKKDEP-JMICFKLVSA-N
MW312.37 g/mol
LogP0.75
Rot. Bonds5

About (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione

(3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione (PubChem CID 162657417) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione
PubChem CID162657417
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione
SMILESC=CCn1c(=O)/c(=C/CC)[nH]c(=O)/c1=C/c1ccc(OC)cc1
InChIInChI=1S/C18H20N2O3/c1-4-6-15-18(22)20(11-5-2)16(17(21)19-15)12-13-7-9-14(23-3)10-8-13/h5-10,12H,2,4,11H2,1,3H3,(H,19,21)/b15-6-,16-12-
InChIKeyBCMIRCZFWKKDEP-JMICFKLVSA-N
XLogP0.75
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione (CID 162657417) is (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione is C=CCn1c(=O)/c(=C/CC)[nH]c(=O)/c1=C/c1ccc(OC)cc1.
What is the InChIKey of (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione?
The InChIKey is BCMIRCZFWKKDEP-JMICFKLVSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-6-15-18(22)20(11-5-2)16(17(21)19-15)12-13-7-9-14(23-3)10-8-13/h5-10,12H,2,4,11H2,1,3H3,(H,19,21)/b15-6-,16-12-.
What are the key properties of (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione?
(3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione has a molecular weight of 312.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enyl-3-propylidenepiperazine-2,5-dione is sourced from PubChem (CID 162657417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).