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Chemical ID: 4204017
Chemical ID:
4204017
Name [?]:
N-benzyl-N-ethyl-1-[(3-methyl-2-thienyl)methyl]piperidine-4-carboxamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3c(ccs3)C
InChi [?]:
InChI=1/C21H28N2OS/c1-3-23(15-18-7-5-4-6-8-18)21(24)19-9-12-22(13-10-19)16-20-17(2)11-14-25-20/h4-8,11,14,19H,3,9-10,12-13,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,8,7,9,6,10,14,18,22,15,17,23,4,19,21,5,13,20,11,16,3,12,24/E:(5,6)(7,8)(9,10)(12,13)/rA:25nCCNCCCCCCCCOCCCNCCCCCCCSC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s21;d22;s20s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7494 |
Area: | 581.96 |
Solvation: | -2.79955 |
Coulombic: | -23.4139 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.526 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.96 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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