Chemical ID: 5830345

c1ccc(cc1)CN2CCN(CC2)C(=O)C3CCN(CC3)Cc4cccnc4
Chemical ID:
5830345
Name [?]:
(4-benzylpiperazin-1-yl)-[1-(3-pyridylmethyl)-4-piperidyl]-methanone
SMILES [?]:
c1ccc(cc1)CN2CCN(CC2)C(=O)C3CCN(CC3)Cc4cccnc4
InChi [?]:
InChI=1/C23H30N4O/c28-23(22-8-11-25(12-9-22)19-21-7-4-10-24-17-21)27-15-13-26(14-16-27)18-20-5-2-1-3-6-20/h1-7,10,17,22H,8-9,11-16,18-19H2
InChi Info:
AuxInfo=1/0/N:1,2,6,25,3,5,24,17,21,26,18,20,9,13,10,12,28,7,22,4,23,16,14,27,19,8,11,15/E:(2,3)(5,6)(8,9)(11,12)(13,14)(15,16)/rA:28nCCCCCCCNCCNCCCOCCCNCCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;s18;s19;s16s20;s19;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N4O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1424
Area:614.875
Solvation:-4.22944
Coulombic:-30.9301
Bond Count [?]
All:31
Single:24
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.511
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.72
LogP (Chemaxon):1.88

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