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Chemical ID: 4203957
Chemical ID:
4203957
Name [?]:
N-[(2-chlorophenyl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
COc1ccc(c(c1)OC)CN2CCC(CC2)C(=O)NCc3ccccc3Cl
InChi [?]:
InChI=1/C22H27ClN2O3/c1-27-19-8-7-18(21(13-19)28-2)15-25-11-9-16(10-12-25)22(26)24-14-17-5-3-4-6-20(17)23/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,10,24,25,23,26,5,4,14,16,13,17,8,21,11,15,22,6,3,27,7,18,28,20,12,19,2,9/E:(9,10)(11,12)/rA:28nCOCCCCCCOCCNCCCCCCONCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27ClN2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5091 |
Area: | 636.24 |
Solvation: | -5.39691 |
Coulombic: | -41.1123 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.914 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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