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Chemical ID: 5889050
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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