(S)-tert-butyl 4-(tert-butoxycarbonylamino)-4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)piperidine-1-carboxylate

HCID 57750274
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1
InChIKey
VZDWMWXYLYVGIJ-IBGZPJMESA-N
Molecular formula
C25H38ClN3O6
Average molar mass
512 g/mol
Monoisotopic mass
511.2449136

Names & identifiers

Preferred name
(S)-tert-butyl 4-(tert-butoxycarbonylamino)-4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-[[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

Names & synonyms

SCHEMBL391467VZDWMWXYLYVGIJ-IBGZPJMESA-N(S)-tert-butyl 4-(tert-butoxycarbonylamino)-4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)piperidine-1-carboxylate

Database identifiers

PubChem CID
57750274

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
117 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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