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Chemical ID: 5931402
Chemical ID:
5931402
Name [?]:
[5-amino-2-(4-benzyl-1-piperidyl)-phenyl]-(1-piperidyl)methanone
SMILES [?]:
c1ccc(cc1)CC2CCN(CC2)c3ccc(cc3C(=O)N4CCCCC4)N
InChi [?]:
InChI=1/C24H31N3O/c25-21-9-10-23(22(18-21)24(28)27-13-5-2-6-14-27)26-15-11-20(12-16-26)17-19-7-3-1-4-8-19/h1,3-4,7-10,18,20H,2,5-6,11-17,25H2
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,3,5,16,15,9,13,23,27,10,12,7,18,4,8,17,19,14,20,28,11,22,21/E:(3,4)(5,6)(7,8)(11,12)(13,14)(15,16)/rA:28nCCCCCCCCCCNCCCCCCCCCONCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;s24;s25;s22s26;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H31N3O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9331 |
Area: | 601.477 |
Solvation: | -3.10383 |
Coulombic: | -41.6471 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 377.523 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.64 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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