ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate

C18H34N2O2 — CID 143244896

IUPACethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate
SMILESC=C/C=C(\C=C)COC(=O)NCC1CCCNC1.CC.CC
InChIInChI=1S/C14H22N2O2.2C2H6/c1-3-6-12(4-2)11-18-14(17)16-10-13-7-5-8-15-9-13;2*1-2/h3-4,6,13,15H,1-2,5,7-11H2,(H,16,17);2*1-2H3/b12-6+;;
InChIKeyCOZYENSDEFSZDT-HTFHIHPASA-N
MW310.48 g/mol
LogP4.06
Rot. Bonds6

About ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate

ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate (PubChem CID 143244896) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate.

Molecular Properties

Compound Nameethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate
PubChem CID143244896
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nameethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate
SMILESC=C/C=C(\C=C)COC(=O)NCC1CCCNC1.CC.CC
InChIInChI=1S/C14H22N2O2.2C2H6/c1-3-6-12(4-2)11-18-14(17)16-10-13-7-5-8-15-9-13;2*1-2/h3-4,6,13,15H,1-2,5,7-11H2,(H,16,17);2*1-2H3/b12-6+;;
InChIKeyCOZYENSDEFSZDT-HTFHIHPASA-N
XLogP4.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
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-(piperidin-3-ylmethyl)carbamate?
The IUPAC name of ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate (CID 143244896) is ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate.
What is the SMILES notation for ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate?
The canonical SMILES for ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate is C=C/C=C(\C=C)COC(=O)NCC1CCCNC1.CC.CC.
What is the InChIKey of ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate?
The InChIKey is COZYENSDEFSZDT-HTFHIHPASA-N. The full InChI is InChI=1S/C14H22N2O2.2C2H6/c1-3-6-12(4-2)11-18-14(17)16-10-13-7-5-8-15-9-13;2*1-2/h3-4,6,13,15H,1-2,5,7-11H2,(H,16,17);2*1-2H3/b12-6+;;.
What are the key properties of ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate?
ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate has a molecular weight of 310.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 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-(piperidin-3-ylmethyl)carbamate is sourced from PubChem (CID 143244896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).