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Chemical ID: 5895293
Chemical ID:
5895293
Name [?]:
3-cyclopentyl-N-[3-[(4-methyl-1-piperidyl)carbonyl]-4-(1-piperidyl)phenyl]-propanamide
SMILES [?]:
CC1CCN(CC1)C(=O)c2cc(ccc2N3CCCCC3)NC(=O)CCC4CCCC4
InChi [?]:
InChI=1/C26H39N3O2/c1-20-13-17-29(18-14-20)26(31)23-19-22(10-11-24(23)28-15-5-2-6-16-28)27-25(30)12-9-21-7-3-4-8-21/h10-11,19-21H,2-9,12-18H2,1H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,19,29,30,18,20,28,31,26,13,14,25,3,7,17,21,4,6,11,2,27,12,10,15,23,8,22,16,5,24,9/E:(3,4)(5,6)(7,8)(13,14)(15,16)(17,18)/rA:31nCCCCNCCCOCCCCCCNCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s12;s22;d23;s23;s25;s26;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H39N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0267 |
Area: | 674.979 |
Solvation: | -3.84781 |
Coulombic: | -43.8071 |
Bond Count [?]
All: | 34 |
Single: | 29 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 425.607 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.97 |
LogP (Chemaxon): | 4.59 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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