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Chemical ID: 4255193
Chemical ID:
4255193
Name [?]:
N-(2-furylmethyl)piperidine-4-carboxamide
SMILES [?]:
c1cc(oc1)CNC(=O)C2CCNCC2
InChi [?]:
InChI=1/C11H16N2O2/c14-11(9-3-5-12-6-4-9)13-8-10-2-1-7-15-10/h1-2,7,9,12H,3-6,8H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,11,15,12,14,5,6,10,3,8,13,7,9,4/E:(3,4)(5,6)/rA:15nCCCOCCNCOCCCNCC/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.67355 |
Area: | 394.751 |
Solvation: | -3.19522 |
Coulombic: | -35.2314 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.257 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.06 |
LogP (Chemaxon): | -0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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