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Chemical ID: 4519860
Chemical ID:
4519860
Name [?]:
methyl 4-[2-(1-piperidyl)acetyl]aminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)NC(=O)CN2CCCCC2
InChi [?]:
InChI=1/C15H20N2O3/c1-20-15(19)12-5-7-13(8-6-12)16-14(18)11-17-9-3-2-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,6,10,7,9,16,20,14,5,8,12,3,11,15,13,4,2/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCOCOCCCCCCNCOCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57778 |
Area: | 483.239 |
Solvation: | -3.50319 |
Coulombic: | -44.7885 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.6 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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