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Chemical ID: 5818982
Chemical ID:
5818982
Name [?]:
1-(4-chlorobenzoyl)-N-(2,5-dimethylphenyl)-piperidine-4-carboxamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C21H23ClN2O2/c1-14-3-4-15(2)19(13-14)23-20(25)16-9-11-24(12-10-16)21(26)17-5-7-18(22)8-6-17/h3-8,13,16H,9-12H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,3,4,20,24,21,23,12,16,13,15,7,2,5,11,19,22,6,9,17,25,8,14,10,18/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCNCOCCCNCCCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23ClN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6701 |
Area: | 591.511 |
Solvation: | -3.11764 |
Coulombic: | -38.9074 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.872 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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