Chemical ID: 3939478

Cc1cccc(c1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3C
Chemical ID:
3939478
Name [?]:
4-(3-methylbenzoyl)amino-N,N-bis[4-(3-methylbenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3C
InChi [?]:
InChI=1/C21H25N3O2/c1-15-6-5-8-17(14-15)20(25)22-18-10-12-24(13-11-18)21(26)23-19-9-4-3-7-16(19)2/h3-9,14,18H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,26,23,22,4,3,24,5,21,12,16,13,15,7,2,25,6,11,20,8,17,10,19,14,9,18/E:(10,11)(12,13)/rA:26nCCCCCCCCONCCCNCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7417
Area:583.718
Solvation:-2.85129
Coulombic:-53.6464
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.442
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.48
LogP (Chemaxon):2.64

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