(2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide

C249H294N34O45S — CID 158188375

IUPAC(2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide
SMILESCC(C)COc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3)CC2)cc1.Cc1cccc(COc2ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCN(c4ccccc4)CC3)cc2)n1.O=C(NCc1ccc(OC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2ccccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2cccnc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2cn(-c3ccccc3)nn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2csc(-c3ccccc3)n2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C31H32N4O5S.C30H32N6O5.C28H32N4O5.C28H37N3O5.2C27H30N4O5.C27H35N3O5.C26H33N3O5.C25H33N3O5/c36-27(28(37)31(39)35-17-15-34(16-18-35)25-9-5-2-6-10-25)29(38)32-19-22-11-13-26(14-12-22)40-20-24-21-41-30(33-24)23-7-3-1-4-8-23;37-27(28(38)30(40)35-17-15-34(16-18-35)24-7-3-1-4-8-24)29(39)31-19-22-11-13-26(14-12-22)41-21-23-20-36(33-32-23)25-9-5-2-6-10-25;1-20-6-5-7-22(30-20)19-37-24-12-10-21(11-13-24)18-29-27(35)25(33)26(34)28(36)32-16-14-31(15-17-32)23-8-3-2-4-9-23;32-25(26(33)28(35)31-17-15-30(16-18-31)23-8-2-1-3-9-23)27(34)29-20-22-10-12-24(13-11-22)36-19-14-21-6-4-5-7-21;32-24(25(33)27(35)31-16-14-30(15-17-31)22-7-2-1-3-8-22)26(34)29-18-20-9-11-23(12-10-20)36-19-21-6-4-5-13-28-21;32-24(25(33)27(35)31-15-13-30(14-16-31)22-6-2-1-3-7-22)26(34)29-18-20-8-10-23(11-9-20)36-19-21-5-4-12-28-17-21;31-24(25(32)27(34)30-16-14-29(15-17-30)22-8-2-1-3-9-22)26(33)28-18-20-10-12-23(13-11-20)35-19-21-6-4-5-7-21;30-23(24(31)26(33)29-16-14-28(15-17-29)20-6-2-1-3-7-20)25(32)27-18-19-10-12-22(13-11-19)34-21-8-4-5-9-21;1-18(2)17-33-21-10-8-19(9-11-21)16-26-24(31)22(29)23(30)25(32)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h1-14,21,27-28,36-37H,15-20H2,(H,32,38);1-14,20,27-28,37-38H,15-19,21H2,(H,31,39);2-13,25-26,33-34H,14-19H2,1H3,(H,29,35);1-3,8-13,21,25-26,32-33H,4-7,14-20H2,(H,29,34);1-13,24-25,32-33H,14-19H2,(H,29,34);1-12,17,24-25,32-33H,13-16,18-19H2,(H,29,34);1-3,8-13,21,24-25,31-32H,4-7,14-19H2,(H,28,33);1-3,6-7,10-13,21,23-24,30-31H,4-5,8-9,14-18H2,(H,27,32);3-11,18,22-23,29-30H,12-17H2,1-2H3,(H,26,31)/t2*27-,28-;2*25-,26-;3*24-,25-;23-,24-;22-,23-/m111111111/s1
InChIKeyFZKTXXSYBFYJIH-RHWAUTCFSA-N
MW4515.35 g/mol
LogP16.34
Rot. Bonds83

About (2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide

(2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide (PubChem CID 158188375) has the molecular formula C249H294N34O45S and a molecular weight of 4515.35 g/mol. Its IUPAC name is (2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name(2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide
PubChem CID158188375
Molecular FormulaC249H294N34O45S
Molecular Weight4515.35 g/mol
Exact Mass4512.15
IUPAC Name(2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide
SMILESCC(C)COc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3)CC2)cc1.Cc1cccc(COc2ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCN(c4ccccc4)CC3)cc2)n1.O=C(NCc1ccc(OC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2ccccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2cccnc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2cn(-c3ccccc3)nn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2csc(-c3ccccc3)n2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C31H32N4O5S.C30H32N6O5.C28H32N4O5.C28H37N3O5.2C27H30N4O5.C27H35N3O5.C26H33N3O5.C25H33N3O5/c36-27(28(37)31(39)35-17-15-34(16-18-35)25-9-5-2-6-10-25)29(38)32-19-22-11-13-26(14-12-22)40-20-24-21-41-30(33-24)23-7-3-1-4-8-23;37-27(28(38)30(40)35-17-15-34(16-18-35)24-7-3-1-4-8-24)29(39)31-19-22-11-13-26(14-12-22)41-21-23-20-36(33-32-23)25-9-5-2-6-10-25;1-20-6-5-7-22(30-20)19-37-24-12-10-21(11-13-24)18-29-27(35)25(33)26(34)28(36)32-16-14-31(15-17-32)23-8-3-2-4-9-23;32-25(26(33)28(35)31-17-15-30(16-18-31)23-8-2-1-3-9-23)27(34)29-20-22-10-12-24(13-11-22)36-19-14-21-6-4-5-7-21;32-24(25(33)27(35)31-16-14-30(15-17-31)22-7-2-1-3-8-22)26(34)29-18-20-9-11-23(12-10-20)36-19-21-6-4-5-13-28-21;32-24(25(33)27(35)31-15-13-30(14-16-31)22-6-2-1-3-7-22)26(34)29-18-20-8-10-23(11-9-20)36-19-21-5-4-12-28-17-21;31-24(25(32)27(34)30-16-14-29(15-17-30)22-8-2-1-3-9-22)26(33)28-18-20-10-12-23(13-11-20)35-19-21-6-4-5-7-21;30-23(24(31)26(33)29-16-14-28(15-17-29)20-6-2-1-3-7-20)25(32)27-18-19-10-12-22(13-11-19)34-21-8-4-5-9-21;1-18(2)17-33-21-10-8-19(9-11-21)16-26-24(31)22(29)23(30)25(32)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h1-14,21,27-28,36-37H,15-20H2,(H,32,38);1-14,20,27-28,37-38H,15-19,21H2,(H,31,39);2-13,25-26,33-34H,14-19H2,1H3,(H,29,35);1-3,8-13,21,25-26,32-33H,4-7,14-20H2,(H,29,34);1-13,24-25,32-33H,14-19H2,(H,29,34);1-12,17,24-25,32-33H,13-16,18-19H2,(H,29,34);1-3,8-13,21,24-25,31-32H,4-7,14-19H2,(H,28,33);1-3,6-7,10-13,21,23-24,30-31H,4-5,8-9,14-18H2,(H,27,32);3-11,18,22-23,29-30H,12-17H2,1-2H3,(H,26,31)/t2*27-,28-;2*25-,26-;3*24-,25-;23-,24-;22-,23-/m111111111/s1
InChIKeyFZKTXXSYBFYJIH-RHWAUTCFSA-N
XLogP16.34
TPSA1003.33 Ų
H-Bond Donors27
H-Bond Acceptors62
Rotatable Bonds83
Heavy Atoms329
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004515.35
LogP ≤ 516.34
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1062

Analyze (2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide?
The IUPAC name of (2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide (CID 158188375) is (2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for (2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide?
The canonical SMILES for (2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide is CC(C)COc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3)CC2)cc1.Cc1cccc(COc2ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCN(c4ccccc4)CC3)cc2)n1.O=C(NCc1ccc(OC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2ccccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2cccnc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2cn(-c3ccccc3)nn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2csc(-c3ccccc3)n2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide?
The InChIKey is FZKTXXSYBFYJIH-RHWAUTCFSA-N. The full InChI is InChI=1S/C31H32N4O5S.C30H32N6O5.C28H32N4O5.C28H37N3O5.2C27H30N4O5.C27H35N3O5.C26H33N3O5.C25H33N3O5/c36-27(28(37)31(39)35-17-15-34(16-18-35)25-9-5-2-6-10-25)29(38)32-19-22-11-13-26(14-12-22)40-20-24-21-41-30(33-24)23-7-3-1-4-8-23;37-27(28(38)30(40)35-17-15-34(16-18-35)24-7-3-1-4-8-24)29(39)31-19-22-11-13-26(14-12-22)41-21-23-20-36(33-32-23)25-9-5-2-6-10-25;1-20-6-5-7-22(30-20)19-37-24-12-10-21(11-13-24)18-29-27(35)25(33)26(34)28(36)32-16-14-31(15-17-32)23-8-3-2-4-9-23;32-25(26(33)28(35)31-17-15-30(16-18-31)23-8-2-1-3-9-23)27(34)29-20-22-10-12-24(13-11-22)36-19-14-21-6-4-5-7-21;32-24(25(33)27(35)31-16-14-30(15-17-31)22-7-2-1-3-8-22)26(34)29-18-20-9-11-23(12-10-20)36-19-21-6-4-5-13-28-21;32-24(25(33)27(35)31-15-13-30(14-16-31)22-6-2-1-3-7-22)26(34)29-18-20-8-10-23(11-9-20)36-19-21-5-4-12-28-17-21;31-24(25(32)27(34)30-16-14-29(15-17-30)22-8-2-1-3-9-22)26(33)28-18-20-10-12-23(13-11-20)35-19-21-6-4-5-7-21;30-23(24(31)26(33)29-16-14-28(15-17-29)20-6-2-1-3-7-20)25(32)27-18-19-10-12-22(13-11-19)34-21-8-4-5-9-21;1-18(2)17-33-21-10-8-19(9-11-21)16-26-24(31)22(29)23(30)25(32)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h1-14,21,27-28,36-37H,15-20H2,(H,32,38);1-14,20,27-28,37-38H,15-19,21H2,(H,31,39);2-13,25-26,33-34H,14-19H2,1H3,(H,29,35);1-3,8-13,21,25-26,32-33H,4-7,14-20H2,(H,29,34);1-13,24-25,32-33H,14-19H2,(H,29,34);1-12,17,24-25,32-33H,13-16,18-19H2,(H,29,34);1-3,8-13,21,24-25,31-32H,4-7,14-19H2,(H,28,33);1-3,6-7,10-13,21,23-24,30-31H,4-5,8-9,14-18H2,(H,27,32);3-11,18,22-23,29-30H,12-17H2,1-2H3,(H,26,31)/t2*27-,28-;2*25-,26-;3*24-,25-;23-,24-;22-,23-/m111111111/s1.
What are the key properties of (2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide?
(2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide has a molecular weight of 4515.35 g/mol, XLogP of 16.34, 83 rotatable bonds, 27 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[4-(2-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-cyclopentyloxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 158188375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).