[(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate

C15H24N2O2 — CID 142539752

IUPAC[(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate
SMILESC=C/C=C(\C=C)COC(=O)NCCC1CCNCC1
InChIInChI=1S/C15H24N2O2/c1-3-5-13(4-2)12-19-15(18)17-11-8-14-6-9-16-10-7-14/h3-5,14,16H,1-2,6-12H2,(H,17,18)/b13-5+
InChIKeyVOEQQMLYFGZEON-WLRTZDKTSA-N
MW264.37 g/mol
LogP2.40
Rot. Bonds7

About [(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate

[(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate (PubChem CID 142539752) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate.

Molecular Properties

Compound Name[(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate
PubChem CID142539752
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate
SMILESC=C/C=C(\C=C)COC(=O)NCCC1CCNCC1
InChIInChI=1S/C15H24N2O2/c1-3-5-13(4-2)12-19-15(18)17-11-8-14-6-9-16-10-7-14/h3-5,14,16H,1-2,6-12H2,(H,17,18)/b13-5+
InChIKeyVOEQQMLYFGZEON-WLRTZDKTSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-(piperidin-4-ylmethyl)carbamate
CID 85957003
cyclohexa-1,5-dien-1-ylmethyl N-[(3-methylidenecyclobutyl)methyl]carbamate
CID 90191841
Cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate
CID 123961314
[(2E,3Z)-2-ethylidenehexa-3,5-dienyl] N-(piperidin-4-ylmethyl)carbamate
CID 141941345
[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate
CID 142118026
[(Z,2E)-2-propylidenehex-4-enyl] N-(piperidin-4-ylmethyl)carbamate
CID 142195629
[(2E)-2-ethenylpenta-2,4-dienyl] N-piperidin-4-ylcarbamate
CID 142289530
ethanamine;[(2E)-2-prop-2-enylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate
CID 143198463
ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-(piperidin-3-ylmethyl)carbamate
CID 143244896
ethane;[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate
CID 143271981
cyclohexa-1,5-dien-1-ylmethyl N-[(4S)-4-methylpiperidin-3-yl]carbamate;molecular hydrogen
CID 143895446
[(2E)-2-ethenylpenta-2,4-dienyl] N-(5-aminopentyl)carbamate
CID 144459494

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate?
The IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate (CID 142539752) is [(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate.
What is the SMILES notation for [(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate?
The canonical SMILES for [(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate is C=C/C=C(\C=C)COC(=O)NCCC1CCNCC1.
What is the InChIKey of [(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate?
The InChIKey is VOEQQMLYFGZEON-WLRTZDKTSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-5-13(4-2)12-19-15(18)17-11-8-14-6-9-16-10-7-14/h3-5,14,16H,1-2,6-12H2,(H,17,18)/b13-5+.
What are the key properties of [(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate?
[(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate has a molecular weight of 264.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate is sourced from PubChem (CID 142539752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).