Chemical ID: 4241503

CCOC(=O)C1CCN(CC1)C(=O)Nc2ccc(cc2F)F
Chemical ID:
4241503
Name [?]:
ethyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C15H18F2N2O3/c1-2-22-14(20)10-5-7-19(8-6-10)15(21)18-13-4-3-11(16)9-12(13)17/h3-4,9-10H,2,5-8H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,7,11,8,10,19,6,18,20,15,4,12,22,21,14,9,5,13,3/E:(5,6)(7,8)/rA:22nCCOCOCCCNCCCONCCCCCCFF/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18F2N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.44692
Area:497.293
Solvation:-3.98542
Coulombic:-55.1473
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):1.65

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Descriptor Annotations

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