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181629-57-2 | 1-Piperidinecarboxylic acid, 4-[[5-oxo-5-(phenylmethoxy)pentyl][(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester
CAS No: 181629-57-2 Catalog No: AG0022Z4 MDL No:
Product Description
Catalog Number:
AG0022Z4
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[5-oxo-5-(phenylmethoxy)pentyl][(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
181629-57-2
Molecular Formula:
C30H40N2O6
Molecular Weight:
524.6484
IUPAC Name:
tert-butyl 4-[(5-oxo-5-phenylmethoxypentyl)-phenylmethoxycarbonylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C30H40N2O6/c1-30(2,3)38-28(34)31-20-17-26(18-21-31)32(29(35)37-23-25-14-8-5-9-15-25)19-11-10-16-27(33)36-22-24-12-6-4-7-13-24/h4-9,12-15,26H,10-11,16-23H2,1-3H3
InChI Key:
IBLNCUTWZYQMBA-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)CCCCN(C(=O)OCc1ccccc1)C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
732
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.289g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
524.658g/mol
Monoisotopic Mass:
524.289g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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