methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate

C15H25NO4 — CID 46849345

IUPACmethyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate
SMILESCCCC/C(=C\C1CCCCN1C(=O)OC)OC(C)=O
InChIInChI=1S/C15H25NO4/c1-4-5-9-14(20-12(2)17)11-13-8-6-7-10-16(13)15(18)19-3/h11,13H,4-10H2,1-3H3/b14-11+
InChIKeyICMOCYRMMYBLJY-SDNWHVSQSA-N
MW283.37 g/mol
LogP3.24
Rot. Bonds5

About methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate

methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate (PubChem CID 46849345) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate
PubChem CID46849345
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate
SMILESCCCC/C(=C\C1CCCCN1C(=O)OC)OC(C)=O
InChIInChI=1S/C15H25NO4/c1-4-5-9-14(20-12(2)17)11-13-8-6-7-10-16(13)15(18)19-3/h11,13H,4-10H2,1-3H3/b14-11+
InChIKeyICMOCYRMMYBLJY-SDNWHVSQSA-N
XLogP3.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(6-Morpholin-4-ylcyclohexen-1-yl) acetate
CID 121008291
tert-butyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate
CID 46849343

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate (CID 46849345) is methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate is CCCC/C(=C\C1CCCCN1C(=O)OC)OC(C)=O.
What is the InChIKey of methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate?
The InChIKey is ICMOCYRMMYBLJY-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-5-9-14(20-12(2)17)11-13-8-6-7-10-16(13)15(18)19-3/h11,13H,4-10H2,1-3H3/b14-11+.
What are the key properties of methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate?
methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 46849345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).