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Chemical ID: 6581105
Chemical ID:
6581105
Name [?]:
methyl 4-[2-(4-benzyl-1-piperidyl)acetyl]aminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)Cc3ccccc3
InChi [?]:
InChI=1/C22H26N2O3/c1-27-22(26)19-7-9-20(10-8-19)23-21(25)16-24-13-11-18(12-14-24)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,27,6,10,7,9,17,19,16,20,21,14,22,18,5,8,12,3,11,15,13,4,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCOCOCCCCCCNCOCNCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3334 |
Area: | 609.881 |
Solvation: | -3.91366 |
Coulombic: | -46.7147 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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