1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one

C17H28N2O3 — CID 143176103

IUPAC1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one
SMILESC=C(/C=C\C(OC)=C(/C)OC)CN1CCN(C(=O)CC)CC1
InChIInChI=1S/C17H28N2O3/c1-6-17(20)19-11-9-18(10-12-19)13-14(2)7-8-16(22-5)15(3)21-4/h7-8H,2,6,9-13H2,1,3-5H3/b8-7-,16-15-
InChIKeyFGUOXLSXBXAMIP-DRGLTMLKSA-N
MW308.42 g/mol
LogP2.18
Rot. Bonds7

About 1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one

1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one (PubChem CID 143176103) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one
PubChem CID143176103
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one
SMILESC=C(/C=C\C(OC)=C(/C)OC)CN1CCN(C(=O)CC)CC1
InChIInChI=1S/C17H28N2O3/c1-6-17(20)19-11-9-18(10-12-19)13-14(2)7-8-16(22-5)15(3)21-4/h7-8H,2,6,9-13H2,1,3-5H3/b8-7-,16-15-
InChIKeyFGUOXLSXBXAMIP-DRGLTMLKSA-N
XLogP2.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one (CID 143176103) is 1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one is C=C(/C=C\C(OC)=C(/C)OC)CN1CCN(C(=O)CC)CC1.
What is the InChIKey of 1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one?
The InChIKey is FGUOXLSXBXAMIP-DRGLTMLKSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-6-17(20)19-11-9-18(10-12-19)13-14(2)7-8-16(22-5)15(3)21-4/h7-8H,2,6,9-13H2,1,3-5H3/b8-7-,16-15-.
What are the key properties of 1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one?
1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one has a molecular weight of 308.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 143176103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).