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1465-01-6 | Benzamide, N-[4-(1-piperidinyl)-2-butyn-1-yl]-
CAS No: 1465-01-6 Catalog No: AG001E38 MDL No:
Product Description
Catalog Number:
AG001E38
Chemical Name:
Benzamide, N-[4-(1-piperidinyl)-2-butyn-1-yl]-
CAS Number:
1465-01-6
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
IUPAC Name:
N-(4-piperidin-1-ylbut-2-ynyl)benzamide
InChI:
InChI=1S/C16H20N2O/c19-16(15-9-3-1-4-10-15)17-11-5-8-14-18-12-6-2-7-13-18/h1,3-4,9-10H,2,6-7,11-14H2,(H,17,19)
InChI Key:
FDIVNQXECMIKLN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NCC#CCN1CCCCC1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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