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Chemical ID: 4017237
Chemical ID:
4017237
Name [?]:
ethyl 1-[(2-methoxyphenyl)carbamoyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)Nc2ccccc2OC
InChi [?]:
InChI=1/C16H22N2O4/c1-3-22-15(19)12-8-10-18(11-9-12)16(20)17-13-6-4-5-7-14(13)21-2/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,17,18,16,19,7,11,8,10,6,15,20,4,12,14,9,5,13,21,3/E:(8,9)(10,11)/rA:22nCCOCOCCCNCCCONCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24264 |
Area: | 519.535 |
Solvation: | -3.74575 |
Coulombic: | -56.3136 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 306.357 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.63 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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