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Chemical ID: 3939560
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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