ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate

C16H28N2O2 — CID 143271981

IUPACethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate
SMILESC=C/C=C(\C=C)COC(=O)N(C)C1CCNCC1.CC
InChIInChI=1S/C14H22N2O2.C2H6/c1-4-6-12(5-2)11-18-14(17)16(3)13-7-9-15-10-8-13;1-2/h4-6,13,15H,1-2,7-11H2,3H3;1-2H3/b12-6+;
InChIKeyXDDZGVRNSAQPAA-WXIWBVQFSA-N
MW280.41 g/mol
LogP3.13
Rot. Bonds5

About ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate

ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate (PubChem CID 143271981) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nameethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate
PubChem CID143271981
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nameethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate
SMILESC=C/C=C(\C=C)COC(=O)N(C)C1CCNCC1.CC
InChIInChI=1S/C14H22N2O2.C2H6/c1-4-6-12(5-2)11-18-14(17)16(3)13-7-9-15-10-8-13;1-2/h4-6,13,15H,1-2,7-11H2,3H3;1-2H3/b12-6+;
InChIKeyXDDZGVRNSAQPAA-WXIWBVQFSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.13
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 ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate?
The IUPAC name of ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate (CID 143271981) is ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate.
What is the SMILES notation for ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate?
The canonical SMILES for ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate is C=C/C=C(\C=C)COC(=O)N(C)C1CCNCC1.CC.
What is the InChIKey of ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate?
The InChIKey is XDDZGVRNSAQPAA-WXIWBVQFSA-N. The full InChI is InChI=1S/C14H22N2O2.C2H6/c1-4-6-12(5-2)11-18-14(17)16(3)13-7-9-15-10-8-13;1-2/h4-6,13,15H,1-2,7-11H2,3H3;1-2H3/b12-6+;.
What are the key properties of ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate?
ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate has a molecular weight of 280.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 143271981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).