Chemical ID: 4106538

c1ccc(cc1)CC(=O)N2CCC(CC2)C(=O)NCc3ccco3
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

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Descriptor Annotations

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