Chemical ID: 6782954

c1ccc(cc1)CC2CCN(CC2)C(=O)C3CC(=O)N(C3)C4CCCC4
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue