4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine

C22H35N3 — CID 155358748

IUPAC4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine
SMILESC=C/C=C1\C(=C)NCN1CCCN1CCC(CC(/C=C\C)=C/C)CC1
InChIInChI=1S/C22H35N3/c1-5-9-20(7-3)17-21-11-15-24(16-12-21)13-8-14-25-18-23-19(4)22(25)10-6-2/h5-7,9-10,21,23H,2,4,8,11-18H2,1,3H3/b9-5-,20-7+,22-10+
InChIKeySDCLGBDILAOUGB-YMALRHSUSA-N
MW341.54 g/mol
LogP4.45
Rot. Bonds8

About 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine

4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine (PubChem CID 155358748) has the molecular formula C22H35N3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine.

Molecular Properties

Compound Name4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine
PubChem CID155358748
Molecular FormulaC22H35N3
Molecular Weight341.54 g/mol
Exact Mass341.28
IUPAC Name4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine
SMILESC=C/C=C1\C(=C)NCN1CCCN1CCC(CC(/C=C\C)=C/C)CC1
InChIInChI=1S/C22H35N3/c1-5-9-20(7-3)17-21-11-15-24(16-12-21)13-8-14-25-18-23-19(4)22(25)10-6-2/h5-7,9-10,21,23H,2,4,8,11-18H2,1,3H3/b9-5-,20-7+,22-10+
InChIKeySDCLGBDILAOUGB-YMALRHSUSA-N
XLogP4.45
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine?
The IUPAC name of 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine (CID 155358748) is 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine.
What is the SMILES notation for 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine?
The canonical SMILES for 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine is C=C/C=C1\C(=C)NCN1CCCN1CCC(CC(/C=C\C)=C/C)CC1.
What is the InChIKey of 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine?
The InChIKey is SDCLGBDILAOUGB-YMALRHSUSA-N. The full InChI is InChI=1S/C22H35N3/c1-5-9-20(7-3)17-21-11-15-24(16-12-21)13-8-14-25-18-23-19(4)22(25)10-6-2/h5-7,9-10,21,23H,2,4,8,11-18H2,1,3H3/b9-5-,20-7+,22-10+.
What are the key properties of 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine?
4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine has a molecular weight of 341.54 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-[3-[(5E)-4-methylidene-5-prop-2-enylideneimidazolidin-1-yl]propyl]piperidine is sourced from PubChem (CID 155358748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).