Chemical ID: 4511094

c1ccc(cc1)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)c4cccc(c4)Cl
Chemical ID:
4511094
Name [?]:
[1-(3-chlorobenzoyl)-4-piperidyl]-(4-phenylpiperazin-1-yl)-methanone
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C23H26ClN3O2/c24-20-6-4-5-19(17-20)23(29)26-11-9-18(10-12-26)22(28)27-15-13-25(14-16-27)21-7-2-1-3-8-21/h1-8,17-18H,9-16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,25,24,26,3,5,16,20,17,19,8,12,9,11,28,15,23,27,4,13,21,29,7,18,10,14,22/E:(2,3)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:29nCCCCCCNCCNCCCOCCCNCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;s17;s18;s15s19;s18;d21;s21;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26ClN3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8173
Area:631.548
Solvation:-3.97145
Coulombic:-40.9506
Bond Count [?]
All:32
Single:24
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:411.924
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.85
LogP (Chemaxon):3.34

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Descriptor Annotations

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