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Chemical ID: 6935978
Chemical ID:
6935978
Name [?]:
methyl 1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxylate
SMILES [?]:
COc1ccc(cc1)CC(=O)N2CCC(CC2)C(=O)OC
InChi [?]:
InChI=1/C16H21NO4/c1-20-14-5-3-12(4-6-14)11-15(18)17-9-7-13(8-10-17)16(19)21-2/h3-6,13H,7-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,5,7,4,8,14,16,13,17,9,6,15,3,10,18,12,11,19,2,20/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCOCCCCCCCCONCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21NO4 |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.66703 |
Area: | 500.933 |
Solvation: | -4.8563 |
Coulombic: | -40.5754 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 291.342 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.53 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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