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Chemical ID: 4106538
Chemical ID:
4106538
Name [?]:
N-(2-furylmethyl)-1-(2-phenylacetyl)-piperidine-4-carboxamide
SMILES [?]:
c1ccc(cc1)CC(=O)N2CCC(CC2)C(=O)NCc3ccco3
InChi [?]:
InChI=1/C19H22N2O3/c22-18(13-15-5-2-1-3-6-15)21-10-8-16(9-11-21)19(23)20-14-17-7-4-12-24-17/h1-7,12,16H,8-11,13-14H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,3,5,21,12,14,11,15,23,7,19,4,13,20,8,16,18,10,9,17,24/E:(2,3)(5,6)(8,9)(10,11)/rA:24nCCCCCCCCONCCCCCCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25344 |
Area: | 557.097 |
Solvation: | -4.67399 |
Coulombic: | -43.259 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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