Chemical ID: 4407654

COc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)c4ccccc4
Chemical ID:
4407654
Name [?]:
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)carbonyl-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)c4ccccc4
InChi [?]:
InChI=1/C24H29N3O3/c1-30-22-9-7-19(8-10-22)23(28)26-13-11-20(12-14-26)24(29)27-17-15-25(16-18-27)21-5-3-2-4-6-21/h2-10,20H,11-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,29,26,30,5,7,4,8,13,15,12,16,21,23,20,24,6,14,25,3,9,17,22,11,19,10,18,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:30nCOCCCCCCCONCCCCCCONCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s20;s21;s22;s19s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.6308
Area:633.946
Solvation:-5.21789
Coulombic:-47.1758
Bond Count [?]
All:33
Single:25
Double:8
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:407.505
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.14
LogP (Chemaxon):2.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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