Chemical ID: 7158414

CC1(CC(CC(N1)(C)C)NC(=O)CCn2cc(cn2)[N+](=O)[O-])C
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

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Descriptor Annotations

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