Trans (4-{2-[4-(2,4-Dichloro-benzoyl)-piperidin-1-yl]-ethyl}-cyclohexyl)-carbamic acid tert-butyl ester

HCID 66628199

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)NC1CCC(CCN2CCC(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1
InChIKey: MFEGVUBTWLSRIJ-UHFFFAOYSA-N
Molecular formula: C25H36Cl2N2O3
Average molar mass: 483.5 g/mol

Names & identifiers

Preferred name: Trans (4-{2-[4-(2,4-Dichloro-benzoyl)-piperidin-1-yl]-ethyl}-cyclohexyl)-carbamic acid tert-butyl ester
IUPAC: tert-butyl N-[4-[2-[4-(2,4-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate

Names & synonyms

SCHEMBL230576SCHEMBL4991712MFEGVUBTWLSRIJ-IRJFHVNHSA-NTrans (4-{2-[4-(2,4-Dichloro-benzoyl)-piperidin-1-yl]-ethyl}-cyclohexyl)-carbamic acid tert-butyl ester

Database identifiers

PubChem CID: 66628199

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 623

Related reactions

2 records

New reaction record

HRID 203823As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 310065As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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