6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one

C18H30N2O3 — CID 143332314

IUPAC6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one
SMILESC=C(/C=C\C(OC)=C(/C)OCCCC)CCC1CNCC(=O)N1
InChIInChI=1S/C18H30N2O3/c1-5-6-11-23-15(3)17(22-4)10-8-14(2)7-9-16-12-19-13-18(21)20-16/h8,10,16,19H,2,5-7,9,11-13H2,1,3-4H3,(H,20,21)/b10-8-,17-15-
InChIKeyLRZRAPXFBDXXGV-QYUYAQKNSA-N
MW322.45 g/mol
LogP2.66
Rot. Bonds10

About 6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one

6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one (PubChem CID 143332314) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one.

Molecular Properties

Compound Name6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one
PubChem CID143332314
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one
SMILESC=C(/C=C\C(OC)=C(/C)OCCCC)CCC1CNCC(=O)N1
InChIInChI=1S/C18H30N2O3/c1-5-6-11-23-15(3)17(22-4)10-8-14(2)7-9-16-12-19-13-18(21)20-16/h8,10,16,19H,2,5-7,9,11-13H2,1,3-4H3,(H,20,21)/b10-8-,17-15-
InChIKeyLRZRAPXFBDXXGV-QYUYAQKNSA-N
XLogP2.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

butyl 4-oxoazetidine-2-carboxylate
CID 70500424
tridecyl 5-oxopyrrolidine-2-carboxylate
CID 21282539
nonyl (2S)-5-oxopyrrolidine-2-carboxylate;octyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 160824087
butyl 4-oxopiperidine-3-carboxylate
CID 139747307
decyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22839298
undecyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840771
heptyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840773
octyl 5-oxopyrrolidine-2-carboxylate
CID 3861700
docosyl (2S)-4-oxoazetidine-2-carboxylate
CID 100921678
[(E)-icos-13-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316360
[(E)-docos-5-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316391
[(E)-octadec-13-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316325

Frequently Asked Questions

What is the IUPAC name of 6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one?
The IUPAC name of 6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one (CID 143332314) is 6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one.
What is the SMILES notation for 6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one?
The canonical SMILES for 6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one is C=C(/C=C\C(OC)=C(/C)OCCCC)CCC1CNCC(=O)N1.
What is the InChIKey of 6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one?
The InChIKey is LRZRAPXFBDXXGV-QYUYAQKNSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-6-11-23-15(3)17(22-4)10-8-14(2)7-9-16-12-19-13-18(21)20-16/h8,10,16,19H,2,5-7,9,11-13H2,1,3-4H3,(H,20,21)/b10-8-,17-15-.
What are the key properties of 6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one?
6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one has a molecular weight of 322.45 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one is sourced from PubChem (CID 143332314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).