Chemical ID: 4059590

CCOC(=O)C1CCCN(C1)C(=O)Nc2c(cccc2F)F
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue