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

C14H22N2O2 — CID 143271982

IUPAC[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate
SMILESC=C/C=C(\C=C)COC(=O)N(C)C1CCNCC1
InChIInChI=1S/C14H22N2O2/c1-4-6-12(5-2)11-18-14(17)16(3)13-7-9-15-10-8-13/h4-6,13,15H,1-2,7-11H2,3H3/b12-6+
InChIKeyFZTCGDLJVGJJCE-WUXMJOGZSA-N
MW250.34 g/mol
LogP2.11
Rot. Bonds5

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

[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate (PubChem CID 143271982) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Name[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate
PubChem CID143271982
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate
SMILESC=C/C=C(\C=C)COC(=O)N(C)C1CCNCC1
InChIInChI=1S/C14H22N2O2/c1-4-6-12(5-2)11-18-14(17)16(3)13-7-9-15-10-8-13/h4-6,13,15H,1-2,7-11H2,3H3/b12-6+
InChIKeyFZTCGDLJVGJJCE-WUXMJOGZSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate
CID 142539752
[(2E)-2-ethenylpenta-2,4-dienyl] 4-(dimethylamino)azepane-1-carboxylate
CID 143632095
N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine
CID 142910607
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
2-(cyclopropylmethoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119444460
2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 104979519
N-methyl-N-pyrrolidin-3-ylbut-3-enamide
CID 63298197
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
2-ethoxy-N-methyl-N-piperidin-4-ylpropanamide
CID 119444012
ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate
CID 123982120
2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate
CID 62068097
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate?
The IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate (CID 143271982) is [(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate.
What is the SMILES notation for [(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate?
The canonical SMILES for [(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate is C=C/C=C(\C=C)COC(=O)N(C)C1CCNCC1.
What is the InChIKey of [(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate?
The InChIKey is FZTCGDLJVGJJCE-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-6-12(5-2)11-18-14(17)16(3)13-7-9-15-10-8-13/h4-6,13,15H,1-2,7-11H2,3H3/b12-6+.
What are the key properties of [(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate?
[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate has a molecular weight of 250.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 143271982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).