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Chemical ID: 5895295
Chemical ID:
5895295
Name [?]:
N-[3-[(4-methyl-1-piperidyl)carbonyl]-4-(1-piperidyl)phenyl]furan-2-carboxamide
SMILES [?]:
CC1CCN(CC1)C(=O)c2cc(ccc2N3CCCCC3)NC(=O)c4ccco4
InChi [?]:
InChI=1/C23H29N3O3/c1-17-9-13-26(14-10-17)23(28)19-16-18(24-22(27)21-6-5-15-29-21)7-8-20(19)25-11-3-2-4-12-25/h5-8,15-17H,2-4,9-14H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,27,26,13,14,3,7,17,21,4,6,28,11,2,12,10,15,25,23,8,22,16,5,24,9,29/E:(3,4)(9,10)(11,12)(13,14)/rA:29nCCCCNCCCOCCCCCCNCCCCCNCOCCCCO/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;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2845 |
Area: | 613.667 |
Solvation: | -4.0572 |
Coulombic: | -53.024 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 395.495 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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