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Chemical ID: 4203987
Chemical ID:
4203987
Name [?]:
1-[(4-ethylphenyl)methyl]-N-phenethyl-piperidine-4-carboxamide
SMILES [?]:
CCc1ccc(cc1)CN2CCC(CC2)C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C23H30N2O/c1-2-19-8-10-21(11-9-19)18-25-16-13-22(14-17-25)23(26)24-15-12-20-6-4-3-5-7-20/h3-11,22H,2,12-18H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,25,22,26,4,8,5,7,20,12,14,19,11,15,9,3,21,6,13,16,18,10,17/E:(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)/rA:26nCCCCCCCCCNCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5559 |
Area: | 617.955 |
Solvation: | -2.89295 |
Coulombic: | -28.5818 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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