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Chemical ID: 4509767
Chemical ID:
4509767
Name [?]:
N,1-dibenzyl-N-phenethyl-piperidine-4-carboxamide
SMILES [?]:
c1ccc(cc1)CCN(Cc2ccccc2)C(=O)C3CCN(CC3)Cc4ccccc4
InChi [?]:
InChI=1/C28H32N2O/c31-28(27-17-19-29(20-18-27)22-25-12-6-2-7-13-25)30(23-26-14-8-3-9-15-26)21-16-24-10-4-1-5-11-24/h1-15,27H,16-23H2
InChi Info:
AuxInfo=1/0/N:1,29,14,2,6,28,30,13,15,3,5,27,31,12,16,7,20,24,21,23,8,25,10,4,26,11,19,17,22,9,18/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(17,18)(19,20)/rA:31nCCCCCCCCNCCCCCCCCOCCCNCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s9;d17;s17;s19;s20;s21;s22;s19s23;s22;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32N2O |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5466 |
Area: | 671.432 |
Solvation: | -3.2392 |
Coulombic: | -25.8227 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 412.567 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.2 |
LogP (Chemaxon): | 5.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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