5-Cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-piperidin-4-yl-amino]-thiophene-2-carboxylic acid methyl ester

HCID 57795362

Basic information

Standard SMILES
COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCNCC1
InChIKey
HCPWLJURHZATCV-UHFFFAOYSA-N
Molecular formula
C25H36N2O3S
Average molar mass
444.6 g/mol
Monoisotopic mass
444.24466419

Names & identifiers

Preferred name
5-Cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-piperidin-4-yl-amino]-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate

Names & synonyms

SCHEMBL2105922SCHEMBL2105924HCPWLJURHZATCV-UAPYVXQJSA-N5-cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-piperidin-4-yl-amino]-thiophene-2-carboxylic acid methyl ester5-cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-piperidin-4-yl-amino]thiophene-2-carboxylic acid methyl ester5-cyclohex-1-enyl-3-[(trans-4-methylcyclohexanecarbonyl)-piperidin-4-yl-amino]-thiophene-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
57795362

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
86.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
31

Related reactions

4 records

Compound notes

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