Chemical ID: 5163721

Cc1ccsc1CN2CCC(CC2)C(=O)N3CCCC(C3)C
Chemical ID:
5163721
Name [?]:
(3-methyl-1-piperidyl)-[1-[(3-methyl-2-thienyl)methyl]-4-piperidyl]-methanone
SMILES [?]:
Cc1ccsc1CN2CCC(CC2)C(=O)N3CCCC(C3)C
InChi [?]:
InChI=1/C18H28N2OS/c1-14-4-3-8-20(12-14)18(21)16-5-9-19(10-6-16)13-17-15(2)7-11-22-17/h7,11,14,16H,3-6,8-10,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:22,1,18,19,10,12,3,17,9,13,4,21,7,20,2,11,6,14,8,16,15,5/E:(5,6)(9,10)/rA:22cCCCCSCCNCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;s18;s19;s16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.604
Area:525.767
Solvation:-2.54019
Coulombic:-21.9296
Bond Count [?]
All:24
Single:21
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.494
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.99
LogP (Chemaxon):2.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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