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Chemical ID: 5889132

CC1CCN(CC1)c2ccc(cc2C(=O)N3CCCCC3)NC(=O)Cc4cccs4

Chemical ID:

5889132

Name [?]:

N-[4-(4-methyl-1-piperidyl)-3-(1-piperidylcarbonyl)phenyl]-2-(2-thienyl)acetamide

SMILES [?]:

CC1CCN(CC1)c2ccc(cc2C(=O)N3CCCCC3)NC(=O)Cc4cccs4

InChi [?]:

InChI=1/C24H31N3O2S/c1-18-9-13-26(14-10-18)22-8-7-19(25-23(28)17-20-6-5-15-30-20)16-21(22)24(29)27-11-3-2-4-12-27/h5-8,15-16,18H,2-4,9-14,17H2,1H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,19,18,20,28,27,10,9,3,7,17,21,4,6,29,12,25,2,11,26,13,8,23,14,22,5,16,24,15,30/E:(3,4)(9,10)(11,12)(13,14)/rA:30nCCCCNCCCCCCCCCONCCCCCNCOCCCCCS/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s11;s22;d23;s23;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₁N₃O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7747
Area:	652.213
Solvation:	-4.53061
Coulombic:	-43.2532

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	425.588
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.86
LogP (Chemaxon):	3.82

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value