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Chemical ID: 4059614
Chemical ID:
4059614
Name [?]:
ethyl 1-[(4-ethylphenyl)carbamoyl]piperidine-3-carboxylate
SMILES [?]:
CCc1ccc(cc1)NC(=O)N2CCCC(C2)C(=O)OCC
InChi [?]:
InChI=1/C17H24N2O3/c1-3-13-7-9-15(10-8-13)18-17(21)19-11-5-6-14(12-19)16(20)22-4-2/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,14,15,4,8,5,7,13,17,3,16,6,18,10,9,12,19,11,20/E:(7,8)(9,10)/rA:22cCCCCCCCCNCONCCCCCCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5256 |
Area: | 531.325 |
Solvation: | -2.75753 |
Coulombic: | -49.2616 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 304.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.62 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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