Chemical ID: 3998173

c1ccc(c(c1)C(=O)N2CCCCC2)C(=O)O
Chemical ID:
3998173
Name [?]:
2-(1-piperidylcarbonyl)benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCCCC2)C(=O)O
InChi [?]:
InChI=1/C13H15NO3/c15-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)13(16)17/h2-3,6-7H,1,4-5,8-9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:12,1,2,11,13,6,3,10,14,5,4,7,15,9,8,16,17/E:(4,5)(8,9)(16,17)/rA:17nCCCCCCCONCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s4;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.92889
Area:392.934
Solvation:-2.89447
Coulombic:-44.4821
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.263
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.05
LogP (Chemaxon):1.43

Name Annotations

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Descriptor Annotations

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