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1353996-97-0 | N-[(S)-1-(2-Chloro-acetyl)-piperidin-3-yl]-acetamide
CAS No: 1353996-97-0 Catalog No: AG01F8IG MDL No:
Product Description
Catalog Number:
AG01F8IG
Chemical Name:
N-[(S)-1-(2-Chloro-acetyl)-piperidin-3-yl]-acetamide
CAS Number:
1353996-97-0
Molecular Formula:
C9H15ClN2O2
Molecular Weight:
218.6806
IUPAC Name:
N-[(3S)-1-(2-chloroacetyl)piperidin-3-yl]acetamide
InChI:
InChI=1S/C9H15ClN2O2/c1-7(13)11-8-3-2-4-12(6-8)9(14)5-10/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1
InChI Key:
YDHPTUBYYCDODX-QMMMGPOBSA-N
SMILES:
ClCC(=O)N1CCC[C@@H](C1)NC(=O)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
218.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.681g/mol
Monoisotopic Mass:
218.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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