(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate

C133H165Cl2FN14O33 — CID 159110890

About (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate

(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate (PubChem CID 159110890) has the molecular formula C133H165Cl2FN14O33 and a molecular weight of 2577.75 g/mol. Its IUPAC name is (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate.

Molecular Properties

• Compound Name: (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate
• PubChem CID: 159110890
• Molecular Formula: C133H165Cl2FN14O33
• Molecular Weight: 2577.75 g/mol
• Exact Mass: 2575.10
• IUPAC Name: (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate
• SMILES: CC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccc3c(c2)OCO3)CC1.CCOC(=O)CN1CCN(C(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccc(OC)cc2)CC1.CN(Cc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCc1ccc(Cl)cc1.COc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)cc1.O=C(NCCOc1ccccc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@H]1CC1CCCC1.O=C(NCCc1cccc(Cl)c1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccc(F)cc2)CC1
• InChI: InChI=1S/C25H28N2O7.C25H30N2O6.C22H25ClFN3O4.C22H32N2O5.C20H29N3O7.C19H21ClN2O4/c1-16(28)25(18-5-3-2-4-6-18)9-11-27(12-10-25)24(32)22(30)21(29)23(31)26-14-17-7-8-19-20(13-17)34-15-33-19;1-17(28)25(19-6-4-3-5-7-19)12-14-27(15-13-25)24(32)22(30)21(29)23(31)26-16-18-8-10-20(33-2)11-9-18;23-16-3-1-2-15(14-16)8-9-25-21(30)19(28)20(29)22(31)27-12-10-26(11-13-27)18-6-4-17(24)5-7-18;25-19(21(27)23-12-14-29-18-10-2-1-3-11-18)20(26)22(28)24-13-6-9-17(24)15-16-7-4-5-8-16;1-3-30-16(24)13-22-8-10-23(11-9-22)20(28)18(26)17(25)19(27)21-12-14-4-6-15(29-2)7-5-14;1-22(12-14-5-3-2-4-6-14)19(26)17(24)16(23)18(25)21-11-13-7-9-15(20)10-8-13/h2-8,13,21-22,29-30H,9-12,14-15H2,1H3,(H,26,31);3-11,21-22,29-30H,12-16H2,1-2H3,(H,26,31);1-7,14,19-20,28-29H,8-13H2,(H,25,30);1-3,10-11,16-17,19-20,25-26H,4-9,12-15H2,(H,23,27);4-7,17-18,25-26H,3,8-13H2,1-2H3,(H,21,27);2-10,16-17,23-24H,11-12H2,1H3,(H,21,25)/t2*21-,22-;19-,20-;17-,19+,20+;17-,18-;16-,17-/m111011/s1
• InChIKey: KELYMMLEARJDSE-MBUWGIFRSA-N
• XLogP: 4.85
• TPSA: 652.29 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 35
• Rotatable Bonds: 47
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2577.75
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate?

The IUPAC name of (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate (CID 159110890) is (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate.

What is the SMILES notation for (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate?

The canonical SMILES for (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate is CC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccc3c(c2)OCO3)CC1.CCOC(=O)CN1CCN(C(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccc(OC)cc2)CC1.CN(Cc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCc1ccc(Cl)cc1.COc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)cc1.O=C(NCCOc1ccccc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@H]1CC1CCCC1.O=C(NCCc1cccc(Cl)c1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccc(F)cc2)CC1.

What is the InChIKey of (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate?

The InChIKey is KELYMMLEARJDSE-MBUWGIFRSA-N. The full InChI is InChI=1S/C25H28N2O7.C25H30N2O6.C22H25ClFN3O4.C22H32N2O5.C20H29N3O7.C19H21ClN2O4/c1-16(28)25(18-5-3-2-4-6-18)9-11-27(12-10-25)24(32)22(30)21(29)23(31)26-14-17-7-8-19-20(13-17)34-15-33-19;1-17(28)25(19-6-4-3-5-7-19)12-14-27(15-13-25)24(32)22(30)21(29)23(31)26-16-18-8-10-20(33-2)11-9-18;23-16-3-1-2-15(14-16)8-9-25-21(30)19(28)20(29)22(31)27-12-10-26(11-13-27)18-6-4-17(24)5-7-18;25-19(21(27)23-12-14-29-18-10-2-1-3-11-18)20(26)22(28)24-13-6-9-17(24)15-16-7-4-5-8-16;1-3-30-16(24)13-22-8-10-23(11-9-22)20(28)18(26)17(25)19(27)21-12-14-4-6-15(29-2)7-5-14;1-22(12-14-5-3-2-4-6-14)19(26)17(24)16(23)18(25)21-11-13-7-9-15(20)10-8-13/h2-8,13,21-22,29-30H,9-12,14-15H2,1H3,(H,26,31);3-11,21-22,29-30H,12-16H2,1-2H3,(H,26,31);1-7,14,19-20,28-29H,8-13H2,(H,25,30);1-3,10-11,16-17,19-20,25-26H,4-9,12-15H2,(H,23,27);4-7,17-18,25-26H,3,8-13H2,1-2H3,(H,21,27);2-10,16-17,23-24H,11-12H2,1H3,(H,21,25)/t2*21-,22-;19-,20-;17-,19+,20+;17-,18-;16-,17-/m111011/s1.

What are the key properties of (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate?

(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate has a molecular weight of 2577.75 g/mol, XLogP of 4.85, 47 rotatable bonds, 18 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide;(2R,3R)-N-benzyl-N'-[(4-chlorophenyl)methyl]-2,3-dihydroxy-N-methylbutanediamide;(2R,3R)-N-[2-(3-chlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2S)-2-(cyclopentylmethyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)butanamide;ethyl 2-[4-[(2R,3R)-2,3-dihydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 159110890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).