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Chemical ID: 4416061
Chemical ID:
4416061
Name [?]:
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenylacetyl)-piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1)CCNC(=O)C2CCN(CC2)C(=O)Cc3ccccc3
InChi [?]:
InChI=1/C23H28N2O3/c1-28-21-9-7-18(8-10-21)11-14-24-23(27)20-12-15-25(16-13-20)22(26)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,24,28,5,7,4,8,9,15,19,10,16,18,22,6,23,14,3,20,12,11,17,21,13,2/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:28nCOCCCCCCCCNCOCCCNCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8256 |
Area: | 642.22 |
Solvation: | -5.22991 |
Coulombic: | -44.7029 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 380.48 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.87 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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