Chemical ID: 7305880

CC1CC(CN(C1)C(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCOCC3)C
Chemical ID:
7305880
Name [?]:
(3,5-dimethyl-1-piperidyl)-(4-morpholino-3-nitro-phenyl)-methanone
SMILES [?]:
CC1CC(CN(C1)C(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCOCC3)C
InChi [?]:
InChI=1/C18H25N3O4/c1-13-9-14(2)12-20(11-13)18(22)15-3-4-16(17(10-15)21(23)24)19-5-7-25-8-6-19/h3-4,10,13-14H,5-9,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,11,12,20,24,21,23,3,15,7,5,2,4,10,13,14,8,19,6,16,9,17,18,22/E:(1,2)(5,6)(7,8)(11,12)(13,14)(23,24)/CRV:21.5/rA:25cCCCCCNCCOCCCCCCN+OO-NCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s13;s19;s20;s21;s22;s19s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25N3O4
All Atoms:50
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:4.06524
Area:543.079
Solvation:-9.51173
Coulombic:-42.5116
Bond Count [?]
All:27
Single:22
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:347.409
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.6
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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