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Chemical ID: 4059590
Chemical ID:
4059590
Name [?]:
ethyl 1-[(2,6-difluorophenyl)carbamoyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)C(=O)Nc2c(cccc2F)F
InChi [?]:
InChI=1/C15H18F2N2O3/c1-2-22-14(20)10-5-4-8-19(9-10)15(21)18-13-11(16)6-3-7-12(13)17/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,18,8,7,17,19,9,11,6,16,20,15,4,12,22,21,14,10,5,13,3/E:(6,7)(11,12)(16,17)/rA:22cCCOCOCCCCNCCONCCCCCCFF/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18F2N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.79283 |
Area: | 493.262 |
Solvation: | -4.53872 |
Coulombic: | -55.33 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 312.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.04 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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