Chemical ID: 5610544

COC(=O)c1ccc(cc1)C(=O)N2CCCCC2
Chemical ID:
5610544
Name [?]:
methyl 4-(1-piperidylcarbonyl)benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)C(=O)N2CCCCC2
InChi [?]:
InChI=1/C14H17NO3/c1-18-14(17)12-7-5-11(6-8-12)13(16)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,7,9,6,10,14,18,8,5,11,3,13,12,4,2/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCOCOCCCCCCCONCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.41848
Area:435.851
Solvation:-2.4778
Coulombic:-37.86
Bond Count [?]
All:19
Single:14
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:247.29
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.37
LogP (Chemaxon):1.46

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Descriptor Annotations

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