Chemical ID: 3939560

Cc1ccccc1C(=O)NC2CCN(CC2)C(=O)Nc3ccc(cc3)Cl
Chemical ID:
3939560
Name [?]:
4-(2-methylbenzoyl)amino-N,N-bis[4-(2-methylbenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
Cc1ccccc1C(=O)NC2CCN(CC2)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H22ClN3O2/c1-14-4-2-3-5-18(14)19(25)22-17-10-12-24(13-11-17)20(26)23-16-8-6-15(21)7-9-16/h2-9,17H,10-13H2,1H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,22,24,21,25,12,16,13,15,2,23,20,11,7,8,17,26,10,19,14,9,18/E:(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCCCONCCCNCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22ClN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.0379
Area:592.003
Solvation:-2.76213
Coulombic:-53.8368
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:371.86
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.88
LogP (Chemaxon):3.34

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Descriptor Annotations

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