Chemical ID: 5889050

c1cc(c(cc1NC(=O)C2CCCCC2)C(=O)N3CCCCC3)N4CCCC4
Chemical ID:
5889050
Name [?]:
N-[3-(1-piperidylcarbonyl)-4-pyrrolidin-1-yl-phenyl]cyclohexanecarboxamide
SMILES [?]:
c1cc(c(cc1NC(=O)C2CCCCC2)C(=O)N3CCCCC3)N4CCCC4
InChi [?]:
InChI=1/C23H33N3O2/c27-22(18-9-3-1-4-10-18)24-19-11-12-21(25-13-7-8-14-25)20(17-19)23(28)26-15-5-2-6-16-26/h11-12,17-18H,1-10,13-16H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:13,21,12,14,20,22,26,27,11,15,1,2,25,28,19,23,5,10,6,4,3,8,16,7,24,18,9,17/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:28nCCCCCCNCOCCCCCCCONCCCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s4;d16;s16;s18;s19;s20;s21;s18s22;s3;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4478
Area:602.098
Solvation:-3.60468
Coulombic:-43.551
Bond Count [?]
All:31
Single:26
Double:5
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:383.527
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.32
LogP (Chemaxon):3.7

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Descriptor Annotations

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