Chemical ID: 5169017

c1cc(cc(c1)Cl)C(=O)N2CCC(CC2)C(=O)NCc3ccncc3
Chemical ID:
5169017
Name [?]:
1-(3-chlorobenzoyl)-N-(4-pyridylmethyl)piperidine-4-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)N2CCC(CC2)C(=O)NCc3ccncc3
InChi [?]:
InChI=1/C19H20ClN3O2/c20-17-3-1-2-16(12-17)19(25)23-10-6-15(7-11-23)18(24)22-13-14-4-8-21-9-5-14/h1-5,8-9,12,15H,6-7,10-11,13H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,25,12,14,22,24,11,15,4,19,20,13,3,5,16,8,7,23,18,10,17,9/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCClCONCCCCCCONCCCCNCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6146
Area:579.793
Solvation:-3.88024
Coulombic:-42.9024
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.834
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.36
LogP (Chemaxon):1.61

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