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
- Formal charge
- 0
- Complexity
- 668
Related reactions
4 records
Compound notes
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