(2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one

C144H209Cl4F6N11O14 — CID 157068661

About (2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one

(2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one (PubChem CID 157068661) has the molecular formula C144H209Cl4F6N11O14 and a molecular weight of 2574.12 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one.

Molecular Properties

• Compound Name: (2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one
• PubChem CID: 157068661
• Molecular Formula: C144H209Cl4F6N11O14
• Molecular Weight: 2574.12 g/mol
• Exact Mass: 2570.46
• IUPAC Name: (2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one
• SMILES: CC(C)C(=O)[C@@H](CN1C[C@@H](C)N[C@@H](C)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN1C[C@@H](C)N[C@@H](C)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CNC1CCOCC1)c1ccc(OC(F)(F)F)cc1.Cc1ccc([C@@H](CN2CCC(O)CC2)C(=O)C(C)C)cc1F.Cc1ccc([C@@H](CN2CCN(C)CC2)C(=O)C(C)C)cc1F.Cc1ccc([C@H](CN2CCC(O)CC2)C(=O)C(C)C)cc1F
• InChI: InChI=1S/2C18H27ClN2O.2C18H26ClNO2.C18H24F3NO3.C18H27FN2O.2C18H26FNO2/c2*1-12(2)18(22)17(15-5-7-16(19)8-6-15)11-21-9-13(3)20-14(4)10-21;2*1-12(2)18(21)17(15-5-7-16(19)8-6-15)11-20-9-13(3)22-14(4)10-20;1-12(2)17(23)16(11-22-14-7-9-24-10-8-14)13-3-5-15(6-4-13)25-18(19,20)21;1-13(2)18(22)16(12-21-9-7-20(4)8-10-21)15-6-5-14(3)17(19)11-15;2*1-12(2)18(22)16(11-20-8-6-15(21)7-9-20)14-5-4-13(3)17(19)10-14/h2*5-8,12-14,17,20H,9-11H2,1-4H3;2*5-8,12-14,17H,9-11H2,1-4H3;3-6,12,14,16,22H,7-11H2,1-2H3;5-6,11,13,16H,7-10,12H2,1-4H3;2*4-5,10,12,15-16,21H,6-9,11H2,1-3H3/t4*13-,14+,17-;4*16-/m10101110/s1
• InChIKey: ACECYLJDCNDDQM-KRMAPVMJSA-N
• XLogP: 26.33
• TPSA: 275.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 42
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2574.12
LogP ≤ 5	26.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one?

The IUPAC name of (2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one (CID 157068661) is (2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one.

What is the SMILES notation for (2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one?

The canonical SMILES for (2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one is CC(C)C(=O)[C@@H](CN1C[C@@H](C)N[C@@H](C)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN1C[C@@H](C)N[C@@H](C)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CNC1CCOCC1)c1ccc(OC(F)(F)F)cc1.Cc1ccc([C@@H](CN2CCC(O)CC2)C(=O)C(C)C)cc1F.Cc1ccc([C@@H](CN2CCN(C)CC2)C(=O)C(C)C)cc1F.Cc1ccc([C@H](CN2CCC(O)CC2)C(=O)C(C)C)cc1F.

What is the InChIKey of (2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one?

The InChIKey is ACECYLJDCNDDQM-KRMAPVMJSA-N. The full InChI is InChI=1S/2C18H27ClN2O.2C18H26ClNO2.C18H24F3NO3.C18H27FN2O.2C18H26FNO2/c2*1-12(2)18(22)17(15-5-7-16(19)8-6-15)11-21-9-13(3)20-14(4)10-21;2*1-12(2)18(21)17(15-5-7-16(19)8-6-15)11-20-9-13(3)22-14(4)10-20;1-12(2)17(23)16(11-22-14-7-9-24-10-8-14)13-3-5-15(6-4-13)25-18(19,20)21;1-13(2)18(22)16(12-21-9-7-20(4)8-10-21)15-6-5-14(3)17(19)11-15;2*1-12(2)18(22)16(11-20-8-6-15(21)7-9-20)14-5-4-13(3)17(19)10-14/h2*5-8,12-14,17,20H,9-11H2,1-4H3;2*5-8,12-14,17H,9-11H2,1-4H3;3-6,12,14,16,22H,7-11H2,1-2H3;5-6,11,13,16H,7-10,12H2,1-4H3;2*4-5,10,12,15-16,21H,6-9,11H2,1-3H3/t4*13-,14+,17-;4*16-/m10101110/s1.

What are the key properties of (2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one?

(2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one has a molecular weight of 2574.12 g/mol, XLogP of 26.33, 42 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one is sourced from PubChem (CID 157068661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).