Home Other Building Blocks 2-Ethoxy-N-((1-(Piperazin-1-Yl)Cyclohexyl)Methyl)Benzamide

2-Ethoxy-N-((1-(Piperazin-1-Yl)Cyclohexyl)Methyl)Benzamide

CAS No.:
1334308-70-1
Catalog Number:
AG01DFM3
Molecular Formula:
C20H31N3O2
Molecular Weight:
345.4790
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Product Description
Catalog Number:
AG01DFM3
Chemical Name:
2-Ethoxy-N-((1-(Piperazin-1-Yl)Cyclohexyl)Methyl)Benzamide
CAS Number:
1334308-70-1
Molecular Formula:
C20H31N3O2
Molecular Weight:
345.4790
IUPAC Name:
2-ethoxy-N-[(1-piperazin-1-ylcyclohexyl)methyl]benzamide
InChI:
InChI=1S/C20H31N3O2/c1-2-25-18-9-5-4-8-17(18)19(24)22-16-20(10-6-3-7-11-20)23-14-12-21-13-15-23/h4-5,8-9,21H,2-3,6-7,10-16H2,1H3,(H,22,24)
InChI Key:
YFQFHHCYQKYDBC-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1C(=O)NCC1(CCCCC1)N1CCNCC1
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.242g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
345.487g/mol
Monoisotopic Mass:
345.242g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Discovery of a novel series of selective HCN1 blockers. Bioorganic & medicinal chemistry letters 20110915
Properties