5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine

C319H438F6N18O18 — CID 159214482

IUPAC5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCN(C(=O)CCCCN)CC2)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)NC(C)(C)C)cc1.CC(C)c1ccc(C(=O)Nc2ccccc2)cc1.CC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1ccc(CC(=O)C(C)(C)C)cc1.CC(C)c1ccc(CC(=O)c2ccccc2)cc1.CC(C)c1ccc(CC(=O)c2ccccc2)cc1.CC(C)c1ccc(CCN2CCC(F)(F)C2)cc1.CC(C)c1ccc(CCN2CCCC2)cc1.CC(C)c1ccc(N2CCC(F)(F)CC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(OCc2ccccc2)cc1.CC1CN(C(=O)c2ccc(C(C)C)cc2)CC(C)O1.CC1CN(c2ccc(C(C)C)cc2)CC(C)O1.CC1CN(c2ccc(C(C)C)cc2F)CC(C)O1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1F.Cc1cccc(C(C)C)c1
InChIInChI=1S/C19H29N3O2.2C17H18O.C16H23NO2.C16H17NO.C16H18O.C15H21F2N.C15H22FNO.C15H22N2O.C15H23NO.C15H21NO.2C15H23N.C15H22O.C14H19F2N.C14H19NO2.C14H21NO.C14H21N.C12H17NO.C10H13F.C10H14O.C10H14/c1-15(2)16-6-8-17(9-7-16)19(24)22-13-11-21(12-14-22)18(23)5-3-4-10-20;2*1-13(2)15-10-8-14(9-11-15)12-17(18)16-6-4-3-5-7-16;1-11(2)14-5-7-15(8-6-14)16(18)17-9-12(3)19-13(4)10-17;1-12(2)13-8-10-14(11-9-13)16(18)17-15-6-4-3-5-7-15;1-13(2)15-8-10-16(11-9-15)17-12-14-6-4-3-5-7-14;1-12(2)14-5-3-13(4-6-14)7-9-18-10-8-15(16,17)11-18;1-10(2)13-5-6-15(14(16)7-13)17-8-11(3)18-12(4)9-17;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-11(2)14-5-7-15(8-6-14)16-9-12(3)17-13(4)10-16;1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-13(2)15-7-5-14(6-8-15)9-12-16-10-3-4-11-16;1-11(2)13-8-6-12(7-9-13)10-14(16)15(3,4)5;1-11(2)12-3-5-13(6-4-12)17-9-7-14(15,16)8-10-17;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-10(2)11-6-8-12(9-7-11)13(16)15-14(3,4)5;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-5-9(3)7-10/h6-9,15H,3-5,10-14,20H2,1-2H3;2*3-11,13H,12H2,1-2H3;5-8,11-13H,9-10H2,1-4H3;3-12H,1-2H3,(H,17,18);3-11,13H,12H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-7,10-12H,8-9H2,1-4H3;4-7,12H,8-11H2,1-3H3;5-8,11-13H,9-10H2,1-4H3;6-9,12H,3-5,10-11H2,1-2H3;4-7,12,15H,8-11H2,1-3H3;5-8,13H,3-4,9-12H2,1-2H3;6-9,11H,10H2,1-5H3;2*3-6,11H,7-10H2,1-2H3;6-10H,1-5H3,(H,15,16);6-9,12H,3-5,10-11H2,1-2H3;5-9H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-8H,1-3H3
InChIKeyKQWXCVKILFBQAG-UHFFFAOYSA-N
MW4927.11 g/mol
LogP74.73
Rot. Bonds58

About 5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine

5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine (PubChem CID 159214482) has the molecular formula C319H438F6N18O18 and a molecular weight of 4927.11 g/mol. Its IUPAC name is 5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine
PubChem CID159214482
Molecular FormulaC319H438F6N18O18
Molecular Weight4927.11 g/mol
Exact Mass4923.38
IUPAC Name5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCN(C(=O)CCCCN)CC2)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)NC(C)(C)C)cc1.CC(C)c1ccc(C(=O)Nc2ccccc2)cc1.CC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1ccc(CC(=O)C(C)(C)C)cc1.CC(C)c1ccc(CC(=O)c2ccccc2)cc1.CC(C)c1ccc(CC(=O)c2ccccc2)cc1.CC(C)c1ccc(CCN2CCC(F)(F)C2)cc1.CC(C)c1ccc(CCN2CCCC2)cc1.CC(C)c1ccc(N2CCC(F)(F)CC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(OCc2ccccc2)cc1.CC1CN(C(=O)c2ccc(C(C)C)cc2)CC(C)O1.CC1CN(c2ccc(C(C)C)cc2)CC(C)O1.CC1CN(c2ccc(C(C)C)cc2F)CC(C)O1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1F.Cc1cccc(C(C)C)c1
InChIInChI=1S/C19H29N3O2.2C17H18O.C16H23NO2.C16H17NO.C16H18O.C15H21F2N.C15H22FNO.C15H22N2O.C15H23NO.C15H21NO.2C15H23N.C15H22O.C14H19F2N.C14H19NO2.C14H21NO.C14H21N.C12H17NO.C10H13F.C10H14O.C10H14/c1-15(2)16-6-8-17(9-7-16)19(24)22-13-11-21(12-14-22)18(23)5-3-4-10-20;2*1-13(2)15-10-8-14(9-11-15)12-17(18)16-6-4-3-5-7-16;1-11(2)14-5-7-15(8-6-14)16(18)17-9-12(3)19-13(4)10-17;1-12(2)13-8-10-14(11-9-13)16(18)17-15-6-4-3-5-7-15;1-13(2)15-8-10-16(11-9-15)17-12-14-6-4-3-5-7-14;1-12(2)14-5-3-13(4-6-14)7-9-18-10-8-15(16,17)11-18;1-10(2)13-5-6-15(14(16)7-13)17-8-11(3)18-12(4)9-17;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-11(2)14-5-7-15(8-6-14)16-9-12(3)17-13(4)10-16;1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-13(2)15-7-5-14(6-8-15)9-12-16-10-3-4-11-16;1-11(2)13-8-6-12(7-9-13)10-14(16)15(3,4)5;1-11(2)12-3-5-13(6-4-12)17-9-7-14(15,16)8-10-17;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-10(2)11-6-8-12(9-7-11)13(16)15-14(3,4)5;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-5-9(3)7-10/h6-9,15H,3-5,10-14,20H2,1-2H3;2*3-11,13H,12H2,1-2H3;5-8,11-13H,9-10H2,1-4H3;3-12H,1-2H3,(H,17,18);3-11,13H,12H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-7,10-12H,8-9H2,1-4H3;4-7,12H,8-11H2,1-3H3;5-8,11-13H,9-10H2,1-4H3;6-9,12H,3-5,10-11H2,1-2H3;4-7,12,15H,8-11H2,1-3H3;5-8,13H,3-4,9-12H2,1-2H3;6-9,11H,10H2,1-5H3;2*3-6,11H,7-10H2,1-2H3;6-10H,1-5H3,(H,15,16);6-9,12H,3-5,10-11H2,1-2H3;5-9H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-8H,1-3H3
InChIKeyKQWXCVKILFBQAG-UHFFFAOYSA-N
XLogP74.73
TPSA358.90 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds58
Heavy Atoms361
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004927.11
LogP ≤ 574.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine?
The IUPAC name of 5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine (CID 159214482) is 5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine?
The canonical SMILES for 5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine is CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCN(C(=O)CCCCN)CC2)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)NC(C)(C)C)cc1.CC(C)c1ccc(C(=O)Nc2ccccc2)cc1.CC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1ccc(CC(=O)C(C)(C)C)cc1.CC(C)c1ccc(CC(=O)c2ccccc2)cc1.CC(C)c1ccc(CC(=O)c2ccccc2)cc1.CC(C)c1ccc(CCN2CCC(F)(F)C2)cc1.CC(C)c1ccc(CCN2CCCC2)cc1.CC(C)c1ccc(N2CCC(F)(F)CC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(OCc2ccccc2)cc1.CC1CN(C(=O)c2ccc(C(C)C)cc2)CC(C)O1.CC1CN(c2ccc(C(C)C)cc2)CC(C)O1.CC1CN(c2ccc(C(C)C)cc2F)CC(C)O1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1F.Cc1cccc(C(C)C)c1.
What is the InChIKey of 5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine?
The InChIKey is KQWXCVKILFBQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.2C17H18O.C16H23NO2.C16H17NO.C16H18O.C15H21F2N.C15H22FNO.C15H22N2O.C15H23NO.C15H21NO.2C15H23N.C15H22O.C14H19F2N.C14H19NO2.C14H21NO.C14H21N.C12H17NO.C10H13F.C10H14O.C10H14/c1-15(2)16-6-8-17(9-7-16)19(24)22-13-11-21(12-14-22)18(23)5-3-4-10-20;2*1-13(2)15-10-8-14(9-11-15)12-17(18)16-6-4-3-5-7-16;1-11(2)14-5-7-15(8-6-14)16(18)17-9-12(3)19-13(4)10-17;1-12(2)13-8-10-14(11-9-13)16(18)17-15-6-4-3-5-7-15;1-13(2)15-8-10-16(11-9-15)17-12-14-6-4-3-5-7-14;1-12(2)14-5-3-13(4-6-14)7-9-18-10-8-15(16,17)11-18;1-10(2)13-5-6-15(14(16)7-13)17-8-11(3)18-12(4)9-17;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-11(2)14-5-7-15(8-6-14)16-9-12(3)17-13(4)10-16;1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-13(2)15-7-5-14(6-8-15)9-12-16-10-3-4-11-16;1-11(2)13-8-6-12(7-9-13)10-14(16)15(3,4)5;1-11(2)12-3-5-13(6-4-12)17-9-7-14(15,16)8-10-17;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-10(2)11-6-8-12(9-7-11)13(16)15-14(3,4)5;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-5-9(3)7-10/h6-9,15H,3-5,10-14,20H2,1-2H3;2*3-11,13H,12H2,1-2H3;5-8,11-13H,9-10H2,1-4H3;3-12H,1-2H3,(H,17,18);3-11,13H,12H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-7,10-12H,8-9H2,1-4H3;4-7,12H,8-11H2,1-3H3;5-8,11-13H,9-10H2,1-4H3;6-9,12H,3-5,10-11H2,1-2H3;4-7,12,15H,8-11H2,1-3H3;5-8,13H,3-4,9-12H2,1-2H3;6-9,11H,10H2,1-5H3;2*3-6,11H,7-10H2,1-2H3;6-10H,1-5H3,(H,15,16);6-9,12H,3-5,10-11H2,1-2H3;5-9H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-8H,1-3H3.
What are the key properties of 5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine?
5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine has a molecular weight of 4927.11 g/mol, XLogP of 74.73, 58 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pentan-1-one;N-tert-butyl-4-propan-2-ylbenzamide;3,3-difluoro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;4,4-difluoro-1-(4-propan-2-ylphenyl)piperidine;(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone;N,N-dimethyl-4-propan-2-ylbenzamide;3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-one;2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-(2-fluoro-4-propan-2-ylphenyl)-2,6-dimethylmorpholine;1-methoxy-4-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(4-propan-2-ylphenyl)piperidine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenylmethoxy-4-propan-2-ylbenzene;N-phenyl-4-propan-2-ylbenzamide;bis(1-phenyl-2-(4-propan-2-ylphenyl)ethanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 159214482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).