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1263283-39-1 | 3-Pyrrolidinecarboxamide, N-(2-hydroxy-1,1-dimethylethyl)-5-oxo-1-[1-(phenylmethyl)-4-piperidinyl]-
CAS No: 1263283-39-1 Catalog No: AG000SMR MDL No:
Product Description
Catalog Number:
AG000SMR
Chemical Name:
3-Pyrrolidinecarboxamide, N-(2-hydroxy-1,1-dimethylethyl)-5-oxo-1-[1-(phenylmethyl)-4-piperidinyl]-
CAS Number:
1263283-39-1
Molecular Formula:
C21H31N3O3
Molecular Weight:
373.4891
IUPAC Name:
1-(1-benzylpiperidin-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
InChI:
InChI=1S/C21H31N3O3/c1-21(2,15-25)22-20(27)17-12-19(26)24(14-17)18-8-10-23(11-9-18)13-16-6-4-3-5-7-16/h3-7,17-18,25H,8-15H2,1-2H3,(H,22,27)
InChI Key:
CCRSSPJDLSAXRJ-UHFFFAOYSA-N
SMILES:
OCC(NC(=O)C1CC(=O)N(C1)C1CCN(CC1)Cc1ccccc1)(C)C
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.237g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.497g/mol
Monoisotopic Mass:
373.237g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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