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Chemical ID: 5562464
Chemical ID:
5562464
Name [?]:
1-(3-pyridylmethyl)-N-tert-butyl-piperidine-4-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)C1CCN(CC1)Cc2cccnc2
InChi [?]:
InChI=1/C16H25N3O/c1-16(2,3)18-15(20)14-6-9-19(10-7-14)12-13-5-4-8-17-11-13/h4-5,8,11,14H,6-7,9-10,12H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,16,9,13,18,10,12,20,14,15,8,6,2,19,5,11,7/E:(1,2,3)(6,7)(9,10)/rA:20nCCCCNCOCCCNCCCCCCCNC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25N3O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08891 |
Area: | 482.827 |
Solvation: | -2.98177 |
Coulombic: | -29.7169 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.53 |
LogP (Chemaxon): | 0.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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