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Chemical ID: 6032628
Chemical ID:
6032628
Name [?]:
1-[(2-methyl-3-furyl)carbonyl]-N-propyl-piperidine-3-carboxamide
SMILES [?]:
CCCNC(=O)C1CCCN(C1)C(=O)c2ccoc2C
InChi [?]:
InChI=1/C15H22N2O3/c1-3-7-16-14(18)12-5-4-8-17(10-12)15(19)13-6-9-20-11(13)2/h6,9,12H,3-5,7-8,10H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,20,2,9,8,16,3,10,17,12,19,7,15,5,13,4,11,6,14,18/rA:20cCCCNCOCCCCNCCOCCCOCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s11;d13;s13;s15;d16;s17;d15s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.70199 |
Area: | 485.882 |
Solvation: | -3.44505 |
Coulombic: | -43.7345 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.9 |
LogP (Chemaxon): | 0.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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