Chemical ID: 3939477

Cc1ccccc1NC(=O)N2CCC(CC2)NC(=O)c3ccc(cc3)OC
Chemical ID:
3939477
Name [?]:
4-(4-methoxybenzoyl)amino-N-(o-tolyl)piperidine-1-carboxamide
SMILES [?]:
Cc1ccccc1NC(=O)N2CCC(CC2)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H25N3O3/c1-15-5-3-4-6-19(15)23-21(26)24-13-11-17(12-14-24)22-20(25)16-7-9-18(27-2)10-8-16/h3-10,17H,11-14H2,1-2H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,27,4,5,3,6,21,25,22,24,13,15,12,16,2,20,14,23,7,18,9,17,8,11,19,10,26/E:(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCNCONCCCCCNCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.7175
Area:598.046
Solvation:-4.23363
Coulombic:-59.8254
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.442
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.96
LogP (Chemaxon):1.92

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Descriptor Annotations

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