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

C23H30N2O3 — CID 162646956

IUPAC(3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione
SMILESC=CCn1c(=O)/c(=C/CCCCCCC)[nH]c(=O)/c1=C/c1ccc(OC)cc1
InChIInChI=1S/C23H30N2O3/c1-4-6-7-8-9-10-11-20-23(27)25(16-5-2)21(22(26)24-20)17-18-12-14-19(28-3)15-13-18/h5,11-15,17H,2,4,6-10,16H2,1,3H3,(H,24,26)/b20-11-,21-17-
InChIKeyJCDOHZUMDZABMC-DSWZVGNYSA-N
MW382.50 g/mol
LogP2.70
Rot. Bonds10

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

(3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione (PubChem CID 162646956) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione
PubChem CID162646956
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione
SMILESC=CCn1c(=O)/c(=C/CCCCCCC)[nH]c(=O)/c1=C/c1ccc(OC)cc1
InChIInChI=1S/C23H30N2O3/c1-4-6-7-8-9-10-11-20-23(27)25(16-5-2)21(22(26)24-20)17-18-12-14-19(28-3)15-13-18/h5,11-15,17H,2,4,6-10,16H2,1,3H3,(H,24,26)/b20-11-,21-17-
InChIKeyJCDOHZUMDZABMC-DSWZVGNYSA-N
XLogP2.70
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione (CID 162646956) is (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione is C=CCn1c(=O)/c(=C/CCCCCCC)[nH]c(=O)/c1=C/c1ccc(OC)cc1.
What is the InChIKey of (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione?
The InChIKey is JCDOHZUMDZABMC-DSWZVGNYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-6-7-8-9-10-11-20-23(27)25(16-5-2)21(22(26)24-20)17-18-12-14-19(28-3)15-13-18/h5,11-15,17H,2,4,6-10,16H2,1,3H3,(H,24,26)/b20-11-,21-17-.
What are the key properties of (3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione?
(3Z,6Z)-6-[(4-methoxyphenyl)methylidene]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione has a molecular weight of 382.50 g/mol, XLogP of 2.70, 10 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]-3-octylidene-1-prop-2-enylpiperazine-2,5-dione is sourced from PubChem (CID 162646956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).