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Chemical ID: 5901965
Chemical ID:
5901965
Name [?]:
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)CCC3CCCC3
InChi [?]:
InChI=1/C21H31N3O2/c1-2-20(25)22-18-8-10-19(11-9-18)23-13-15-24(16-14-23)21(26)12-7-17-5-3-4-6-17/h8-11,17H,2-7,12-16H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,24,25,23,26,21,7,11,8,10,20,13,17,14,16,22,6,9,3,18,5,12,15,4,19/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:26nCCCONCCCCCCNCCNCCCOCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H31N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3041 |
Area: | 604.572 |
Solvation: | -3.81023 |
Coulombic: | -41.878 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 357.49 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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