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Chemical ID: 5895274
Chemical ID:
5895274
Name [?]:
N-[3-[(4-methyl-1-piperidyl)carbonyl]-4-(1-piperidyl)phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1ccc(c(c1)C(=O)N2CCC(CC2)C)N3CCCCC3
InChi [?]:
InChI=1/C21H31N3O2/c1-3-20(25)22-17-7-8-19(23-11-5-4-6-12-23)18(15-17)21(26)24-13-9-16(2)10-14-24/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,20,2,24,23,25,7,8,16,18,22,26,15,19,11,17,6,10,9,3,12,5,21,14,4,13/E:(5,6)(9,10)(11,12)(13,14)/rA:26nCCCONCCCCCCCONCCCCCCNCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;s16;s17;s14s18;s17;s9;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H31N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8118 |
Area: | 577.8 |
Solvation: | -3.63319 |
Coulombic: | -42.812 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.49 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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