Ethyl 4-(3-cyano-2,3,4,5-tetrahydrooxepin-3-yl)piperazine-1-carboxylate

HCID 58415949
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Basic information

Standard SMILES
CCOC(=O)N1CCN(C2(C#N)CCC=COC2)CC1
InChIKey
GLIWUBABCCHZEJ-UHFFFAOYSA-N
Molecular formula
C14H21N3O3
Average molar mass
279.33 g/mol
Monoisotopic mass
279.15829154

Names & identifiers

Preferred name
Ethyl 4-(3-cyano-2,3,4,5-tetrahydrooxepin-3-yl)piperazine-1-carboxylate
IUPAC
ethyl 4-(3-cyano-4,5-dihydro-2H-oxepin-3-yl)piperazine-1-carboxylate

Names & synonyms

SCHEMBL2405094GLIWUBABCCHZEJ-UHFFFAOYSA-Nethyl 4-(3-cyano-2,3,4,5-tetrahydrooxepin-3-yl)piperazine-1-carboxylate

Database identifiers

PubChem CID
58415949

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
65.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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