Chemical ID: 4807554

Cc1ccc2c(c1)c(c[nH]2)C(=O)CN3CC(CC(C3)C)C
Chemical ID:
4807554
Name [?]:
2-(3,5-dimethyl-1-piperidyl)-1-(5-methyl-1H-indol-3-yl)-ethanone
SMILES [?]:
Cc1ccc2c(c1)c(c[nH]2)C(=O)CN3CC(CC(C3)C)C
InChi [?]:
InChI=1/C18H24N2O/c1-12-4-5-17-15(7-12)16(8-19-17)18(21)11-20-9-13(2)6-14(3)10-20/h4-5,7-8,13-14,19H,6,9-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,21,3,4,17,7,9,19,15,13,2,18,16,6,8,5,11,10,14,12/E:(2,3)(9,10)(13,14)/rA:21cCCCCCCCCCNCOCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s8;d11;s11;s13;s14;s15;s16;s17;s14s18;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:9.43756
Area:487.615
Solvation:-2.75281
Coulombic:-24.5205
Bond Count [?]
All:23
Single:18
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:284.396
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.35
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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