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Chemical ID: 5562311
Chemical ID:
5562311
Name [?]:
1-[(3-methyl-2-thienyl)methyl]-N-propyl-piperidine-4-carboxamide
SMILES [?]:
CCCNC(=O)C1CCN(CC1)Cc2c(ccs2)C
InChi [?]:
InChI=1/C15H24N2OS/c1-3-7-16-15(18)13-4-8-17(9-5-13)11-14-12(2)6-10-19-14/h6,10,13H,3-5,7-9,11H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,19,2,8,12,16,3,9,11,17,13,15,7,14,5,4,10,6,18/E:(4,5)(8,9)/rA:19nCCCNCOCCCNCCCCCCCSC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;s13;d14;s15;d16;s14s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0149 |
Area: | 497.162 |
Solvation: | -2.41415 |
Coulombic: | -26.5328 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 280.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.47 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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