(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one

C207H271N55O25 — CID 161468565

IUPAC(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one
SMILESCC(=O)CCc1cn([C@@H](C)C(=O)C2CCNCC2)nn1.CC(=O)CCc1cn([C@@H](C)C(=O)N2CCNCC2)nn1.CCCCC[C@@H](C(=O)OC)n1cc(-c2cc(C(=O)N3CCNCC3)cc(-c3cn([C@@H](Cc4c[nH]c5ccccc45)C(=O)OC)nn3)c2)nn1.CCCCCc1cn([C@@H](CCCCN)C(=O)C2CCNCC2)nn1.CCCCCc1cn([C@@H](CCCCN)C(=O)N2CCNCC2)nn1.CCCc1cn([C@H](C(=O)C2CCNCC2)c2ccc(O)cc2)nn1.CCCc1cn([C@H](C(=O)N2CCNCC2)c2ccc(O)cc2)nn1.COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(-c2cc(C(=O)C3CCNCC3)cc(-c3cn([C@@H](Cc4ccc(C)cc4)C(=O)O)nn3)c2)nn1.COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(-c2cc(C(=O)N3CCNCC3)cc(-c3cn([C@@H](Cc4ccc(C)cc4)C(=O)O)nn3)c2)nn1
InChIInChI=1S/C38H38N8O5.C37H37N9O5.C35H41N9O5.C18H33N5O.C18H24N4O2.C17H32N6O.C17H23N5O2.C14H22N4O2.C13H21N5O2/c1-23-7-9-24(10-8-23)15-34(37(48)49)45-21-32(41-43-45)26-16-27(18-28(17-26)36(47)25-11-13-39-14-12-25)33-22-46(44-42-33)35(38(50)51-2)19-29-20-40-31-6-4-3-5-30(29)31;1-23-7-9-24(10-8-23)15-33(36(48)49)45-21-31(40-42-45)25-16-26(18-27(17-25)35(47)44-13-11-38-12-14-44)32-22-46(43-41-32)34(37(50)51-2)19-28-20-39-30-6-4-3-5-29(28)30;1-4-5-6-11-31(34(46)48-2)43-21-29(38-40-43)23-16-24(18-25(17-23)33(45)42-14-12-36-13-15-42)30-22-44(41-39-30)32(35(47)49-3)19-26-20-37-28-10-8-7-9-27(26)28;1-2-3-4-7-16-14-23(22-21-16)17(8-5-6-11-19)18(24)15-9-12-20-13-10-15;1-2-3-15-12-22(21-20-15)17(13-4-6-16(23)7-5-13)18(24)14-8-10-19-11-9-14;1-2-3-4-7-15-14-23(21-20-15)16(8-5-6-9-18)17(24)22-12-10-19-11-13-22;1-2-3-14-12-22(20-19-14)16(13-4-6-15(23)7-5-13)17(24)21-10-8-18-9-11-21;1-10(19)3-4-13-9-18(17-16-13)11(2)14(20)12-5-7-15-8-6-12;1-10(19)3-4-12-9-18(16-15-12)11(2)13(20)17-7-5-14-6-8-17/h3-10,16-18,20-22,25,34-35,39-40H,11-15,19H2,1-2H3,(H,48,49);3-10,16-18,20-22,33-34,38-39H,11-15,19H2,1-2H3,(H,48,49);7-10,16-18,20-22,31-32,36-37H,4-6,11-15,19H2,1-3H3;14-15,17,20H,2-13,19H2,1H3;4-7,12,14,17,19,23H,2-3,8-11H2,1H3;14,16,19H,2-13,18H2,1H3;4-7,12,16,18,23H,2-3,8-11H2,1H3;9,11-12,15H,3-8H2,1-2H3;9,11,14H,3-8H2,1-2H3/t34-,35-;33-,34-;31-,32-;2*17-;2*16-;2*11-/m000000000/s1
InChIKeyWCTMZEFUXQKMQI-RKQPWRLISA-N
MW3929.80 g/mol
LogP19.98
Rot. Bonds79

About (2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one

(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one (PubChem CID 161468565) has the molecular formula C207H271N55O25 and a molecular weight of 3929.80 g/mol. Its IUPAC name is (2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one.

Molecular Properties

Compound Name(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one
PubChem CID161468565
Molecular FormulaC207H271N55O25
Molecular Weight3929.80 g/mol
Exact Mass3927.16
IUPAC Name(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one
SMILESCC(=O)CCc1cn([C@@H](C)C(=O)C2CCNCC2)nn1.CC(=O)CCc1cn([C@@H](C)C(=O)N2CCNCC2)nn1.CCCCC[C@@H](C(=O)OC)n1cc(-c2cc(C(=O)N3CCNCC3)cc(-c3cn([C@@H](Cc4c[nH]c5ccccc45)C(=O)OC)nn3)c2)nn1.CCCCCc1cn([C@@H](CCCCN)C(=O)C2CCNCC2)nn1.CCCCCc1cn([C@@H](CCCCN)C(=O)N2CCNCC2)nn1.CCCc1cn([C@H](C(=O)C2CCNCC2)c2ccc(O)cc2)nn1.CCCc1cn([C@H](C(=O)N2CCNCC2)c2ccc(O)cc2)nn1.COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(-c2cc(C(=O)C3CCNCC3)cc(-c3cn([C@@H](Cc4ccc(C)cc4)C(=O)O)nn3)c2)nn1.COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(-c2cc(C(=O)N3CCNCC3)cc(-c3cn([C@@H](Cc4ccc(C)cc4)C(=O)O)nn3)c2)nn1
InChIInChI=1S/C38H38N8O5.C37H37N9O5.C35H41N9O5.C18H33N5O.C18H24N4O2.C17H32N6O.C17H23N5O2.C14H22N4O2.C13H21N5O2/c1-23-7-9-24(10-8-23)15-34(37(48)49)45-21-32(41-43-45)26-16-27(18-28(17-26)36(47)25-11-13-39-14-12-25)33-22-46(44-42-33)35(38(50)51-2)19-29-20-40-31-6-4-3-5-30(29)31;1-23-7-9-24(10-8-23)15-33(36(48)49)45-21-31(40-42-45)25-16-26(18-27(17-25)35(47)44-13-11-38-12-14-44)32-22-46(43-41-32)34(37(50)51-2)19-28-20-39-30-6-4-3-5-29(28)30;1-4-5-6-11-31(34(46)48-2)43-21-29(38-40-43)23-16-24(18-25(17-23)33(45)42-14-12-36-13-15-42)30-22-44(41-39-30)32(35(47)49-3)19-26-20-37-28-10-8-7-9-27(26)28;1-2-3-4-7-16-14-23(22-21-16)17(8-5-6-11-19)18(24)15-9-12-20-13-10-15;1-2-3-15-12-22(21-20-15)17(13-4-6-16(23)7-5-13)18(24)14-8-10-19-11-9-14;1-2-3-4-7-15-14-23(21-20-15)16(8-5-6-9-18)17(24)22-12-10-19-11-13-22;1-2-3-14-12-22(20-19-14)16(13-4-6-15(23)7-5-13)17(24)21-10-8-18-9-11-21;1-10(19)3-4-13-9-18(17-16-13)11(2)14(20)12-5-7-15-8-6-12;1-10(19)3-4-12-9-18(16-15-12)11(2)13(20)17-7-5-14-6-8-17/h3-10,16-18,20-22,25,34-35,39-40H,11-15,19H2,1-2H3,(H,48,49);3-10,16-18,20-22,33-34,38-39H,11-15,19H2,1-2H3,(H,48,49);7-10,16-18,20-22,31-32,36-37H,4-6,11-15,19H2,1-3H3;14-15,17,20H,2-13,19H2,1H3;4-7,12,14,17,19,23H,2-3,8-11H2,1H3;14,16,19H,2-13,18H2,1H3;4-7,12,16,18,23H,2-3,8-11H2,1H3;9,11-12,15H,3-8H2,1-2H3;9,11,14H,3-8H2,1-2H3/t34-,35-;33-,34-;31-,32-;2*17-;2*16-;2*11-/m000000000/s1
InChIKeyWCTMZEFUXQKMQI-RKQPWRLISA-N
XLogP19.98
TPSA1000.43 Ų
H-Bond Donors18
H-Bond Acceptors70
Rotatable Bonds79
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003929.80
LogP ≤ 519.98
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1070

Analyze (2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-5-oxohexanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-5-oxohexanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(1H-indol-3-yl)propanoate;methyl (2S)-2-[4-[3-[1-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(1H-indol-3-yl)propanoate;methyl (2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(3S)-5-methyl-2-oxohexan-3-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]propanoate
CID 158964756
methyl (2S)-6-amino-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]hexanoate
CID 126546963
(2S)-6-amino-2-[4-[3-[1-[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]hexanoic acid
CID 126546953
(2S)-2-[4-[(1S)-1-amino-2-(4-hydroxyphenyl)ethyl]triazol-1-yl]-3-(1H-indol-3-yl)-1-piperidin-4-ylpropan-1-one
CID 126547102
(4R)-5-[[(2S)-1-[[(2S)-1-[[1-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]triazol-4-yl]methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoic acid
CID 155548021
methyl 2-[4-[4-(hydroxymethyl)phenyl]triazol-1-yl]-3-phenylpropanoate
CID 167951503
ethyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[4-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxymethyl]triazol-1-yl]propanoyl]amino]propanoate
CID 71216718
6-amino-2-[[2-[(4-benzoylpiperidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid
CID 139885070
N-[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]decanamide
CID 10351455
2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 106220722
5-[[4-[4-[(2S)-6-amino-2-(4-butyltriazol-1-yl)hexanoyl]piperazin-1-yl]-6-[4-[(2S)-2-[4-(2-hydroxyethyl)triazol-1-yl]-3-(4-hydroxyphenyl)propanoyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
CID 24796938
6-amino-2-[4-[(1S,2S)-1-amino-2-methylbutyl]triazol-1-yl]-1-piperazin-1-ylhexan-1-one
CID 126547396

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one?
The IUPAC name of (2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one (CID 161468565) is (2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one.
What is the SMILES notation for (2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one?
The canonical SMILES for (2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one is CC(=O)CCc1cn([C@@H](C)C(=O)C2CCNCC2)nn1.CC(=O)CCc1cn([C@@H](C)C(=O)N2CCNCC2)nn1.CCCCC[C@@H](C(=O)OC)n1cc(-c2cc(C(=O)N3CCNCC3)cc(-c3cn([C@@H](Cc4c[nH]c5ccccc45)C(=O)OC)nn3)c2)nn1.CCCCCc1cn([C@@H](CCCCN)C(=O)C2CCNCC2)nn1.CCCCCc1cn([C@@H](CCCCN)C(=O)N2CCNCC2)nn1.CCCc1cn([C@H](C(=O)C2CCNCC2)c2ccc(O)cc2)nn1.CCCc1cn([C@H](C(=O)N2CCNCC2)c2ccc(O)cc2)nn1.COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(-c2cc(C(=O)C3CCNCC3)cc(-c3cn([C@@H](Cc4ccc(C)cc4)C(=O)O)nn3)c2)nn1.COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(-c2cc(C(=O)N3CCNCC3)cc(-c3cn([C@@H](Cc4ccc(C)cc4)C(=O)O)nn3)c2)nn1.
What is the InChIKey of (2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one?
The InChIKey is WCTMZEFUXQKMQI-RKQPWRLISA-N. The full InChI is InChI=1S/C38H38N8O5.C37H37N9O5.C35H41N9O5.C18H33N5O.C18H24N4O2.C17H32N6O.C17H23N5O2.C14H22N4O2.C13H21N5O2/c1-23-7-9-24(10-8-23)15-34(37(48)49)45-21-32(41-43-45)26-16-27(18-28(17-26)36(47)25-11-13-39-14-12-25)33-22-46(44-42-33)35(38(50)51-2)19-29-20-40-31-6-4-3-5-30(29)31;1-23-7-9-24(10-8-23)15-33(36(48)49)45-21-31(40-42-45)25-16-26(18-27(17-25)35(47)44-13-11-38-12-14-44)32-22-46(43-41-32)34(37(50)51-2)19-28-20-39-30-6-4-3-5-29(28)30;1-4-5-6-11-31(34(46)48-2)43-21-29(38-40-43)23-16-24(18-25(17-23)33(45)42-14-12-36-13-15-42)30-22-44(41-39-30)32(35(47)49-3)19-26-20-37-28-10-8-7-9-27(26)28;1-2-3-4-7-16-14-23(22-21-16)17(8-5-6-11-19)18(24)15-9-12-20-13-10-15;1-2-3-15-12-22(21-20-15)17(13-4-6-16(23)7-5-13)18(24)14-8-10-19-11-9-14;1-2-3-4-7-15-14-23(21-20-15)16(8-5-6-9-18)17(24)22-12-10-19-11-13-22;1-2-3-14-12-22(20-19-14)16(13-4-6-15(23)7-5-13)17(24)21-10-8-18-9-11-21;1-10(19)3-4-13-9-18(17-16-13)11(2)14(20)12-5-7-15-8-6-12;1-10(19)3-4-12-9-18(16-15-12)11(2)13(20)17-7-5-14-6-8-17/h3-10,16-18,20-22,25,34-35,39-40H,11-15,19H2,1-2H3,(H,48,49);3-10,16-18,20-22,33-34,38-39H,11-15,19H2,1-2H3,(H,48,49);7-10,16-18,20-22,31-32,36-37H,4-6,11-15,19H2,1-3H3;14-15,17,20H,2-13,19H2,1H3;4-7,12,14,17,19,23H,2-3,8-11H2,1H3;14,16,19H,2-13,18H2,1H3;4-7,12,16,18,23H,2-3,8-11H2,1H3;9,11-12,15H,3-8H2,1-2H3;9,11,14H,3-8H2,1-2H3/t34-,35-;33-,34-;31-,32-;2*17-;2*16-;2*11-/m000000000/s1.
What are the key properties of (2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one?
(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one has a molecular weight of 3929.80 g/mol, XLogP of 19.98, 79 rotatable bonds, 18 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperazin-1-ylhexan-1-one;(2S)-6-amino-2-(4-pentyltriazol-1-yl)-1-piperidin-4-ylhexan-1-one;(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-(4-hydroxyphenyl)-1-piperidin-4-yl-2-(4-propyltriazol-1-yl)ethanone;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;(2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperidine-4-carbonyl)phenyl]triazol-1-yl]-3-(4-methylphenyl)propanoic acid;methyl (2S)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]heptanoate;4-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]butan-2-one;4-[1-[(2S)-1-oxo-1-piperidin-4-ylpropan-2-yl]triazol-4-yl]butan-2-one is sourced from PubChem (CID 161468565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).