Chemical ID: 5896839

CC1CCN(CC1)C(=O)c2cc(ccc2N3CCCCC3)NC(=O)NC4CCCCC4
Chemical ID:
5896839
Name [?]:
3-cyclohexyl-1-[3-[(4-methyl-1-piperidyl)carbonyl]-4-(1-piperidyl)phenyl]-urea
SMILES [?]:
CC1CCN(CC1)C(=O)c2cc(ccc2N3CCCCC3)NC(=O)NC4CCCCC4
InChi [?]:
InChI=1/C25H38N4O2/c1-19-12-16-29(17-13-19)24(30)22-18-21(10-11-23(22)28-14-6-3-7-15-28)27-25(31)26-20-8-4-2-5-9-20/h10-11,18-20H,2-9,12-17H2,1H3,(H2,26,27,31)
InChi Info:
AuxInfo=1/1/N:1,29,19,28,30,18,20,27,31,13,14,3,7,17,21,4,6,11,2,26,12,10,15,8,23,25,22,16,5,9,24/E:(4,5)(6,7)(8,9)(12,13)(14,15)(16,17)/rA:31nCCCCNCCCOCCCCCCNCCCCCNCONCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s12;s22;d23;s23;s25;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H38N4O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.9442
Area:661.836
Solvation:-3.60169
Coulombic:-58.3016
Bond Count [?]
All:34
Single:29
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:426.595
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.74
LogP (Chemaxon):4.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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