4-[(5-Cyclohex-1-enyl-2-methoxycarbonyl-thiophen-3-yl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester

HCID 57795368
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Basic information

Standard SMILES
COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey
GFNMJSGQSWLTOR-UHFFFAOYSA-N
Molecular formula
C30H44N2O5S
Average molar mass
544.7 g/mol
Monoisotopic mass
544.29709368

Names & identifiers

Preferred name
4-[(5-Cyclohex-1-enyl-2-methoxycarbonyl-thiophen-3-yl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[[5-(cyclohexen-1-yl)-2-methoxycarbonylthiophen-3-yl]-(4-methylcyclohexanecarbonyl)amino]piperidine-1-carboxylate

Names & synonyms

SCHEMBL2107369SCHEMBL2107370GFNMJSGQSWLTOR-AQYVVDRMSA-N4-[(5-cyclohex-1-enyl-2-methoxycarbonyl-thiophen-3-yl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
57795368

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
104 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
38

Related reactions

1 records
New reaction record

Compound notes

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