Methyl 4-({[4-({(tert-butoxycarbonyl)[(1r)-1-(1-naphthyl)ethyl]amino}methyl)-3-(3-fluorophenyl)piperidin-1-yl]carbonyl}amino)-3-chlorobenzoate

HCID 66906552
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Basic information

Standard SMILES
COC(=O)c1ccc(NC(=O)N2CCC(CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)C(c3cccc(F)c3)C2)c(Cl)c1
InChIKey
AYAGMGZDLLPSRH-SPWTXMEKSA-N
Molecular formula
C38H41ClFN3O5
Average molar mass
674.2 g/mol
Monoisotopic mass
673.2718773

Names & identifiers

Preferred name
Methyl 4-({[4-({(tert-butoxycarbonyl)[(1r)-1-(1-naphthyl)ethyl]amino}methyl)-3-(3-fluorophenyl)piperidin-1-yl]carbonyl}amino)-3-chlorobenzoate
IUPAC
methyl 3-chloro-4-[[3-(3-fluorophenyl)-4-[[(2-methylpropan-2-yl)oxycarbonyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]piperidine-1-carbonyl]amino]benzoate

Names & synonyms

SCHEMBL1097659AYAGMGZDLLPSRH-SPWTXMEKSA-Nmethyl 4-({[4-({(tert-butoxycarbonyl)[(1r)-1-(1-naphthyl)ethyl]amino}methyl)-3-(3-fluorophenyl)piperidin-1-yl]carbonyl}amino)-3-chlorobenzoate

Database identifiers

PubChem CID
66906552

Properties

Computed structural properties

XLogP
7.9
Topological polar surface area
88.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
48

Related reactions

1 records
New reaction record

Compound notes

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