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Chemical ID: 5999193
Chemical ID:
5999193
Name [?]:
4-oxo-1-phenyl-3-(1-piperidylcarbonylmethyl)-N-(p-tolyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCCCC5
InChi [?]:
InChI=1/C28H35N5O3/c1-22-10-12-23(13-11-22)29-27(36)31-18-14-28(15-19-31)26(35)32(20-25(34)30-16-6-3-7-17-30)21-33(28)24-8-4-2-5-9-24/h2,4-5,8-13H,3,6-7,14-21H2,1H3,(H,29,36)
InChi Info:
AuxInfo=1/1/N:1,25,34,24,26,33,35,23,27,3,7,4,6,13,15,32,36,12,16,28,20,2,5,22,29,17,9,14,8,31,11,19,21,30,18,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:36cCCCCCCCNCONCCCCCCONCNCCCCCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s14s20;s21;s22;d23;s24;d25;d22s26;s19;s28;d29;s29;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H35N5O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8343 |
Area: | 718.855 |
Solvation: | -5.13712 |
Coulombic: | -70.7534 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 489.609 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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