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Chemical ID: 3959314
Chemical ID:
3959314
Name [?]:
2-[4-(1-piperidyl)-1-piperidyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
SMILES [?]:
C1CCN(CC1)C2CCN(CC2)CC(=O)NCC3CCCO3
InChi [?]:
InChI=1/C17H31N3O2/c21-17(18-13-16-5-4-12-22-16)14-19-10-6-15(7-11-19)20-8-2-1-3-9-20/h15-16H,1-14H2,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,19,8,12,3,5,9,11,21,17,13,7,18,14,16,10,4,15,22/E:(2,3)(6,7)(8,9)(10,11)/rA:22cCCCNCCCCCNCCCCONCCCCCO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;d14;s14;s16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H31N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.91594 |
Area: | 529.942 |
Solvation: | -4.3326 |
Coulombic: | -37.6477 |
Bond Count [?]
All: | 24 |
Single: | 23 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 309.447 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.85 |
LogP (Chemaxon): | 0.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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