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294180-37-3 | 4-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-, methyl ester
CAS No: 294180-37-3 Catalog No: AG002YB1 MDL No:MFCD09749832
Product Description
Catalog Number:
AG002YB1
Chemical Name:
4-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-, methyl ester
CAS Number:
294180-37-3
Molecular Formula:
C19H28N2O4
Molecular Weight:
348.4366
MDL Number:
MFCD09749832
IUPAC Name:
methyl 1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
InChI:
InChI=1S/C19H28N2O4/c1-18(2,3)25-17(23)20-19(16(22)24-4)10-12-21(13-11-19)14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,20,23)
InChI Key:
ABKUDWKUABCGGM-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCN(CC1)Cc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.443g/mol
Monoisotopic Mass:
348.205g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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