[(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate

C16H28N2O2 — CID 142195629

IUPAC[(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate
SMILESC/C=C\C/C(=C\CC)COC(=O)NCC1CCNCC1
InChIInChI=1S/C16H28N2O2/c1-3-5-7-15(6-4-2)13-20-16(19)18-12-14-8-10-17-11-9-14/h3,5-6,14,17H,4,7-13H2,1-2H3,(H,18,19)/b5-3-,15-6+
InChIKeyXUHNSKAIUKQLIZ-QFJUEOODSA-N
MW280.41 g/mol
LogP3.01
Rot. Bonds7

About [(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate

[(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate (PubChem CID 142195629) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is [(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate.

Molecular Properties

Compound Name[(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate
PubChem CID142195629
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name[(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate
SMILESC/C=C\C/C(=C\CC)COC(=O)NCC1CCNCC1
InChIInChI=1S/C16H28N2O2/c1-3-5-7-15(6-4-2)13-20-16(19)18-12-14-8-10-17-11-9-14/h3,5-6,14,17H,4,7-13H2,1-2H3,(H,18,19)/b5-3-,15-6+
InChIKeyXUHNSKAIUKQLIZ-QFJUEOODSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate?
The IUPAC name of [(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate (CID 142195629) is [(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate.
What is the SMILES notation for [(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate?
The canonical SMILES for [(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate is C/C=C\C/C(=C\CC)COC(=O)NCC1CCNCC1.
What is the InChIKey of [(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate?
The InChIKey is XUHNSKAIUKQLIZ-QFJUEOODSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-5-7-15(6-4-2)13-20-16(19)18-12-14-8-10-17-11-9-14/h3,5-6,14,17H,4,7-13H2,1-2H3,(H,18,19)/b5-3-,15-6+.
What are the key properties of [(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate?
[(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate has a molecular weight of 280.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate is sourced from PubChem (CID 142195629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).