Chemical ID: 3948664

CCOC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F
Chemical ID:
3948664
Name [?]:
ethyl 4-[2-[4-(4-fluorobenzoyl)-1-piperidyl]acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C23H25FN2O4/c1-2-30-23(29)18-5-9-20(10-6-18)25-21(27)15-26-13-11-17(12-14-26)22(28)16-3-7-19(24)8-4-16/h3-10,17H,2,11-15H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,25,29,7,11,26,28,8,10,18,20,17,21,15,24,19,6,27,9,13,22,4,30,12,16,14,23,5,3/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCCOCOCCCCCCNCOCNCCCCCCOCCCCCCF/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;s18;s19;s16s20;s19;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25FN2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.3739
Area:654.753
Solvation:-5.9949
Coulombic:-56.3801
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:412.454
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.18
LogP (Chemaxon):2.84

Name Annotations

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Descriptor Annotations

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