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Chemical ID: 3947124
Chemical ID:
3947124
Name [?]:
N'-cyclopentyl-N-(3-methoxyphenyl)-piperidine-1,3-dicarboxamide
SMILES [?]:
COc1cccc(c1)NC(=O)N2CCCC(C2)C(=O)NC3CCCC3
InChi [?]:
InChI=1/C19H27N3O3/c1-25-17-10-4-9-16(12-17)21-19(24)22-11-5-6-14(13-22)18(23)20-15-7-2-3-8-15/h4,9-10,12,14-15H,2-3,5-8,11,13H2,1H3,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,23,24,5,14,15,22,25,6,4,13,8,17,16,21,7,3,18,10,20,9,12,19,11,2/E:(2,3)(7,8)/rA:25cCOCCCCCCNCONCCCCCCONCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3722 |
Area: | 570.014 |
Solvation: | -3.87814 |
Coulombic: | -58.1302 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.436 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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