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Chemical ID: 5829945
Chemical ID:
5829945
Name [?]:
1-[(4-methoxyphenyl)methyl]-N-(p-tolylmethyl)piperidine-4-carboxamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C22H28N2O2/c1-17-3-5-18(6-4-17)15-23-22(25)20-11-13-24(14-12-20)16-19-7-9-21(26-2)10-8-19/h3-10,20H,11-16H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,3,7,4,6,20,24,21,23,13,17,14,16,8,18,2,5,19,12,22,10,9,15,11,25/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:26nCCCCCCCCNCOCCCNCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9772 |
Area: | 602.855 |
Solvation: | -4.09412 |
Coulombic: | -34.5673 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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