(Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one

C13H22N2O — CID 143939521

IUPAC(Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one
SMILESC/C=C\C(=C/C)CCC(=O)N1CCNCC1
InChIInChI=1S/C13H22N2O/c1-3-5-12(4-2)6-7-13(16)15-10-8-14-9-11-15/h3-5,14H,6-11H2,1-2H3/b5-3-,12-4+
InChIKeyHRDATSFFYXPFEU-BVEFSZSYSA-N
MW222.33 g/mol
LogP1.72
Rot. Bonds4

About (Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one

(Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one (PubChem CID 143939521) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one.

Molecular Properties

Compound Name(Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one
PubChem CID143939521
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one
SMILESC/C=C\C(=C/C)CCC(=O)N1CCNCC1
InChIInChI=1S/C13H22N2O/c1-3-5-12(4-2)6-7-13(16)15-10-8-14-9-11-15/h3-5,14H,6-11H2,1-2H3/b5-3-,12-4+
InChIKeyHRDATSFFYXPFEU-BVEFSZSYSA-N
XLogP1.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one?
The IUPAC name of (Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one (CID 143939521) is (Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one.
What is the SMILES notation for (Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one?
The canonical SMILES for (Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one is C/C=C\C(=C/C)CCC(=O)N1CCNCC1.
What is the InChIKey of (Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one?
The InChIKey is HRDATSFFYXPFEU-BVEFSZSYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-5-12(4-2)6-7-13(16)15-10-8-14-9-11-15/h3-5,14H,6-11H2,1-2H3/b5-3-,12-4+.
What are the key properties of (Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one?
(Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-4-ethylidene-1-piperazin-1-ylhept-5-en-1-one is sourced from PubChem (CID 143939521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).