Chemical ID: 4509767

c1ccc(cc1)CCN(Cc2ccccc2)C(=O)C3CCN(CC3)Cc4ccccc4
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue