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Chemical ID: 7365646
Chemical ID:
7365646
Name [?]:
ethyl 4-[2-(4-carbamoyl-1-piperidyl)acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)N
InChi [?]:
InChI=1/C17H23N3O4/c1-2-24-17(23)13-3-5-14(6-4-13)19-15(21)11-20-9-7-12(8-10-20)16(18)22/h3-6,12H,2,7-11H2,1H3,(H2,18,22)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,7,11,8,10,18,20,17,21,15,19,6,9,13,22,4,24,12,16,14,23,5,3/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCOCOCCCCCCNCOCNCCCCCCON/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;s18;s19;s16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23N3O4 |
All Atoms: | 47 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11524 |
Area: | 564.009 |
Solvation: | -4.98499 |
Coulombic: | -68.5862 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.382 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 0.35 |
LogP (Chemaxon): | 0.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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