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Chemical ID: 3939477
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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