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Chemical ID: 5998244
Chemical ID:
5998244
Name [?]:
N,N-dimethyl-4-oxo-1-phenyl-3-(1-piperidylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CN(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCCCC4
InChi [?]:
InChI=1/C23H33N5O3/c1-24(2)22(31)26-15-11-23(12-16-26)21(30)27(17-20(29)25-13-7-4-8-14-25)18-28(23)19-9-5-3-6-10-19/h3,5-6,9-10H,4,7-8,11-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,29,19,21,28,30,18,22,8,10,27,31,7,11,23,15,17,24,12,4,9,2,26,6,14,16,25,13,5/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:31cCNCCONCCCCCCONCNCCCCCCCCONCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s9s15;s16;s17;d18;s19;d20;d17s21;s14;s23;d24;s24;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H33N5O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3885 |
Area: | 621.715 |
Solvation: | -5.15435 |
Coulombic: | -65.3603 |
Bond Count [?]
All: | 34 |
Single: | 28 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 427.54 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 1.37 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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