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Chemical ID: 4839213
Chemical ID:
4839213
Name [?]:
methyl 4-[2-(4-methyl-1-piperidyl)acetyl]aminobenzoate
SMILES [?]:
CC1CCN(CC1)CC(=O)Nc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C16H22N2O3/c1-12-7-9-18(10-8-12)11-15(19)17-14-5-3-13(4-6-14)16(20)21-2/h3-6,12H,7-11H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,21,14,16,13,17,3,7,4,6,8,2,15,12,9,18,11,5,10,19,20/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCNCCCCONCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09132 |
Area: | 504.879 |
Solvation: | -3.53066 |
Coulombic: | -45.0192 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.11 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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