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Chemical ID: 6782954
Chemical ID:
6782954
Name [?]:
4-[(4-benzyl-1-piperidyl)carbonyl]-1-cyclopentyl-pyrrolidin-2-one
SMILES [?]:
c1ccc(cc1)CC2CCN(CC2)C(=O)C3CC(=O)N(C3)C4CCCC4
InChi [?]:
InChI=1/C22H30N2O2/c25-21-15-19(16-24(21)20-8-4-5-9-20)22(26)23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-3,6-7,18-20H,4-5,8-16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,24,25,3,5,23,26,9,13,10,12,7,17,21,4,8,16,22,18,14,11,20,19,15/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26cCCCCCCCCCCNCCCOCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;d18;s18;s16s20;s20;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2O2 |
All Atoms: | 56 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2014 |
Area: | 574.126 |
Solvation: | -3.15175 |
Coulombic: | -32.6351 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.486 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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