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Chemical ID: 6480941
Chemical ID:
6480941
Name [?]:
1-[5-[(1-acetyl-4-piperidyl)amino]indolin-1-yl]ethanone
SMILES [?]:
CC(=O)N1CCC(CC1)Nc2ccc3c(c2)CCN3C(=O)C
InChi [?]:
InChI=1/C17H23N3O2/c1-12(21)19-8-6-15(7-9-19)18-16-3-4-17-14(11-16)5-10-20(17)13(2)22/h3-4,11,15,18H,5-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,12,13,17,6,8,5,9,18,16,2,20,15,7,11,14,10,4,19,3,21/E:(6,7)(8,9)/rA:22nCCONCCCCCNCCCCCCCCNCOC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76434 |
Area: | 502.396 |
Solvation: | -3.79557 |
Coulombic: | -40.1079 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 301.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.1 |
LogP (Chemaxon): | -0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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