(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

C157H206Cl3N27O34 — CID 159497558

IUPAC(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCN(C)CCCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN(C)CCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN1CCN(c2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N3CCCC3)cc2)CC1.O=C(NCCCCl)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1.O=C(NCCCCl)[C@H](O)[C@@H](O)C(=O)N1CCN(c2cccc(-c3ccccc3)c2)CC1.O=C(NCCCCl)[C@H](O)[C@@H](O)C(=O)N1CCN(c2cccc3ccccc23)CC1.O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(Nc1ccc(-n2cccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1
InChIInChI=1S/2C23H28ClN3O4.C21H26ClN3O4.C19H28N4O4.C19H29N3O5.C18H27N3O5.2C17H20N4O4/c24-10-5-11-25-22(30)20(28)21(29)23(31)27-14-12-26(13-15-27)19-9-4-8-18(16-19)17-6-2-1-3-7-17;24-11-4-12-25-22(30)20(28)21(29)23(31)27-15-13-26(14-16-27)19-9-7-18(8-10-19)17-5-2-1-3-6-17;22-9-4-10-23-20(28)18(26)19(27)21(29)25-13-11-24(12-14-25)17-8-3-6-15-5-1-2-7-16(15)17;1-21-10-12-22(13-11-21)15-6-4-14(5-7-15)20-18(26)16(24)17(25)19(27)23-8-2-3-9-23;1-21(2)10-5-13-27-15-8-6-14(7-9-15)20-18(25)16(23)17(24)19(26)22-11-3-4-12-22;1-20(2)11-12-26-14-7-5-13(6-8-14)19-17(24)15(22)16(23)18(25)21-9-3-4-10-21;22-14(15(23)17(25)20-9-1-2-10-20)16(24)19-12-4-6-13(7-5-12)21-11-3-8-18-21;22-14(15(23)17(25)21-9-1-2-10-21)16(24)19-12-5-3-11(4-6-12)13-7-8-18-20-13/h1-4,6-9,16,20-21,28-29H,5,10-15H2,(H,25,30);1-3,5-10,20-21,28-29H,4,11-16H2,(H,25,30);1-3,5-8,18-19,26-27H,4,9-14H2,(H,23,28);4-7,16-17,24-25H,2-3,8-13H2,1H3,(H,20,26);6-9,16-17,23-24H,3-5,10-13H2,1-2H3,(H,20,25);5-8,15-16,22-23H,3-4,9-12H2,1-2H3,(H,19,24);3-8,11,14-15,22-23H,1-2,9-10H2,(H,19,24);3-8,14-15,22-23H,1-2,9-10H2,(H,18,20)(H,19,24)/t2*20-,21-;18-,19-;2*16-,17-;15-,16-;2*14-,15-/m11111111/s1
InChIKeyLYYZXGSNPSZCNN-WBWDAMCSSA-N
MW3121.89 g/mol
LogP4.34
Rot. Bonds55

About (2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 159497558) has the molecular formula C157H206Cl3N27O34 and a molecular weight of 3121.89 g/mol. Its IUPAC name is (2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID159497558
Molecular FormulaC157H206Cl3N27O34
Molecular Weight3121.89 g/mol
Exact Mass3118.43
IUPAC Name(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCN(C)CCCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN(C)CCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN1CCN(c2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N3CCCC3)cc2)CC1.O=C(NCCCCl)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1.O=C(NCCCCl)[C@H](O)[C@@H](O)C(=O)N1CCN(c2cccc(-c3ccccc3)c2)CC1.O=C(NCCCCl)[C@H](O)[C@@H](O)C(=O)N1CCN(c2cccc3ccccc23)CC1.O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(Nc1ccc(-n2cccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1
InChIInChI=1S/2C23H28ClN3O4.C21H26ClN3O4.C19H28N4O4.C19H29N3O5.C18H27N3O5.2C17H20N4O4/c24-10-5-11-25-22(30)20(28)21(29)23(31)27-14-12-26(13-15-27)19-9-4-8-18(16-19)17-6-2-1-3-7-17;24-11-4-12-25-22(30)20(28)21(29)23(31)27-15-13-26(14-16-27)19-9-7-18(8-10-19)17-5-2-1-3-6-17;22-9-4-10-23-20(28)18(26)19(27)21(29)25-13-11-24(12-14-25)17-8-3-6-15-5-1-2-7-16(15)17;1-21-10-12-22(13-11-21)15-6-4-14(5-7-15)20-18(26)16(24)17(25)19(27)23-8-2-3-9-23;1-21(2)10-5-13-27-15-8-6-14(7-9-15)20-18(25)16(23)17(24)19(26)22-11-3-4-12-22;1-20(2)11-12-26-14-7-5-13(6-8-14)19-17(24)15(22)16(23)18(25)21-9-3-4-10-21;22-14(15(23)17(25)20-9-1-2-10-20)16(24)19-12-4-6-13(7-5-12)21-11-3-8-18-21;22-14(15(23)17(25)21-9-1-2-10-21)16(24)19-12-5-3-11(4-6-12)13-7-8-18-20-13/h1-4,6-9,16,20-21,28-29H,5,10-15H2,(H,25,30);1-3,5-10,20-21,28-29H,4,11-16H2,(H,25,30);1-3,5-8,18-19,26-27H,4,9-14H2,(H,23,28);4-7,16-17,24-25H,2-3,8-13H2,1H3,(H,20,26);6-9,16-17,23-24H,3-5,10-13H2,1-2H3,(H,20,25);5-8,15-16,22-23H,3-4,9-12H2,1-2H3,(H,19,24);3-8,11,14-15,22-23H,1-2,9-10H2,(H,19,24);3-8,14-15,22-23H,1-2,9-10H2,(H,18,20)(H,19,24)/t2*20-,21-;18-,19-;2*16-,17-;15-,16-;2*14-,15-/m11111111/s1
InChIKeyLYYZXGSNPSZCNN-WBWDAMCSSA-N
XLogP4.34
TPSA806.60 Ų
H-Bond Donors25
H-Bond Acceptors44
Rotatable Bonds55
Heavy Atoms221
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003121.89
LogP ≤ 54.34
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of (2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 159497558) is (2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for (2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for (2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is CN(C)CCCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN(C)CCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN1CCN(c2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N3CCCC3)cc2)CC1.O=C(NCCCCl)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1.O=C(NCCCCl)[C@H](O)[C@@H](O)C(=O)N1CCN(c2cccc(-c3ccccc3)c2)CC1.O=C(NCCCCl)[C@H](O)[C@@H](O)C(=O)N1CCN(c2cccc3ccccc23)CC1.O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(Nc1ccc(-n2cccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.
What is the InChIKey of (2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is LYYZXGSNPSZCNN-WBWDAMCSSA-N. The full InChI is InChI=1S/2C23H28ClN3O4.C21H26ClN3O4.C19H28N4O4.C19H29N3O5.C18H27N3O5.2C17H20N4O4/c24-10-5-11-25-22(30)20(28)21(29)23(31)27-14-12-26(13-15-27)19-9-4-8-18(16-19)17-6-2-1-3-7-17;24-11-4-12-25-22(30)20(28)21(29)23(31)27-15-13-26(14-16-27)19-9-7-18(8-10-19)17-5-2-1-3-6-17;22-9-4-10-23-20(28)18(26)19(27)21(29)25-13-11-24(12-14-25)17-8-3-6-15-5-1-2-7-16(15)17;1-21-10-12-22(13-11-21)15-6-4-14(5-7-15)20-18(26)16(24)17(25)19(27)23-8-2-3-9-23;1-21(2)10-5-13-27-15-8-6-14(7-9-15)20-18(25)16(23)17(24)19(26)22-11-3-4-12-22;1-20(2)11-12-26-14-7-5-13(6-8-14)19-17(24)15(22)16(23)18(25)21-9-3-4-10-21;22-14(15(23)17(25)20-9-1-2-10-20)16(24)19-12-4-6-13(7-5-12)21-11-3-8-18-21;22-14(15(23)17(25)21-9-1-2-10-21)16(24)19-12-5-3-11(4-6-12)13-7-8-18-20-13/h1-4,6-9,16,20-21,28-29H,5,10-15H2,(H,25,30);1-3,5-10,20-21,28-29H,4,11-16H2,(H,25,30);1-3,5-8,18-19,26-27H,4,9-14H2,(H,23,28);4-7,16-17,24-25H,2-3,8-13H2,1H3,(H,20,26);6-9,16-17,23-24H,3-5,10-13H2,1-2H3,(H,20,25);5-8,15-16,22-23H,3-4,9-12H2,1-2H3,(H,19,24);3-8,11,14-15,22-23H,1-2,9-10H2,(H,19,24);3-8,14-15,22-23H,1-2,9-10H2,(H,18,20)(H,19,24)/t2*20-,21-;18-,19-;2*16-,17-;15-,16-;2*14-,15-/m11111111/s1.
What are the key properties of (2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 3121.89 g/mol, XLogP of 4.34, 55 rotatable bonds, 25 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-N-(3-chloropropyl)-2,3-dihydroxy-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 159497558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).