Chemical ID: 3947124

COc1cccc(c1)NC(=O)N2CCCC(C2)C(=O)NC3CCCC3
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

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Descriptor Annotations

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