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Chemical ID: 6482890
Chemical ID:
6482890
Name [?]:
1-[1-(2,2-dimethylpropanoyl)-4-piperidyl]indolin-2-one
SMILES [?]:
CC(C)(C)C(=O)N1CCC(CC1)N2c3ccccc3CC2=O
InChi [?]:
InChI=1/C18H24N2O2/c1-18(2,3)17(22)19-10-8-14(9-11-19)20-15-7-5-4-6-13(15)12-16(20)21/h4-7,14H,8-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,16,18,15,9,11,8,12,20,19,10,14,21,5,2,7,13,22,6/E:(1,2,3)(8,9)(10,11)/rA:22nCCCCCONCCCCCNCCCCCCCCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08902 |
Area: | 485.279 |
Solvation: | -3.04297 |
Coulombic: | -32.164 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 300.395 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.86 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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