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Chemical ID: 7158414
Chemical ID:
7158414
Name [?]:
3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethyl-4-piperidyl)-propanamide
SMILES [?]:
CC1(CC(CC(N1)(C)C)NC(=O)CCn2cc(cn2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C15H25N5O3/c1-14(2)7-11(8-15(3,4)18-14)17-13(21)5-6-19-10-12(9-16-19)20(22)23/h9-11,18H,5-8H2,1-4H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,23,8,9,13,14,3,5,18,16,4,17,11,2,6,19,10,7,15,20,12,21,22/E:(1,2,3,4)(7,8)(14,15)(22,23)/CRV:20.5/rA:23nCCCCCCNCCNCOCCNCCCNN+OO-C/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s17;d20;s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25N5O3 |
All Atoms: | 48 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.69722 |
Area: | 545.33 |
Solvation: | -7.93604 |
Coulombic: | -45.0747 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.391 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.93 |
LogP (Chemaxon): | -0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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