(2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one

C107H153Cl6N9O9 — CID 161350586

IUPAC(2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one
SMILESCC(=O)N1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CC(=O)N1CCN(C[C@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CC(C)C(=O)[C@@H](CN1CCN(C(C)C)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1.CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CC1CCN(C[C@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN2O.2C18H25ClN2O2.2C18H26ClNO.C16H22ClNO2/c1-14(2)19(23)18(16-5-7-17(20)8-6-16)13-21-9-11-22(12-10-21)15(3)4;2*1-13(2)18(23)17(15-4-6-16(19)7-5-15)12-20-8-10-21(11-9-20)14(3)22;2*1-13(2)18(21)17(15-4-6-16(19)7-5-15)12-20-10-8-14(3)9-11-20;1-12(2)16(19)15(11-18-7-9-20-10-8-18)13-3-5-14(17)6-4-13/h5-8,14-15,18H,9-13H2,1-4H3;2*4-7,13,17H,8-12H2,1-3H3;2*4-7,13-14,17H,8-12H2,1-3H3;3-6,12,15H,7-11H2,1-2H3/t18-;4*17-;15-/m010100/s1
InChIKeyVNWKSVZSPBTTNM-AMOGOMJZSA-N
MW1922.17 g/mol
LogP21.04
Rot. Bonds31

About (2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one

(2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one (PubChem CID 161350586) has the molecular formula C107H153Cl6N9O9 and a molecular weight of 1922.17 g/mol. Its IUPAC name is (2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one.

Molecular Properties

Compound Name(2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one
PubChem CID161350586
Molecular FormulaC107H153Cl6N9O9
Molecular Weight1922.17 g/mol
Exact Mass1917.99
IUPAC Name(2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one
SMILESCC(=O)N1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CC(=O)N1CCN(C[C@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CC(C)C(=O)[C@@H](CN1CCN(C(C)C)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1.CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CC1CCN(C[C@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN2O.2C18H25ClN2O2.2C18H26ClNO.C16H22ClNO2/c1-14(2)19(23)18(16-5-7-17(20)8-6-16)13-21-9-11-22(12-10-21)15(3)4;2*1-13(2)18(23)17(15-4-6-16(19)7-5-15)12-20-8-10-21(11-9-20)14(3)22;2*1-13(2)18(21)17(15-4-6-16(19)7-5-15)12-20-10-8-14(3)9-11-20;1-12(2)16(19)15(11-18-7-9-20-10-8-18)13-3-5-14(17)6-4-13/h5-8,14-15,18H,9-13H2,1-4H3;2*4-7,13,17H,8-12H2,1-3H3;2*4-7,13-14,17H,8-12H2,1-3H3;3-6,12,15H,7-11H2,1-2H3/t18-;4*17-;15-/m010100/s1
InChIKeyVNWKSVZSPBTTNM-AMOGOMJZSA-N
XLogP21.04
TPSA174.95 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds31
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001922.17
LogP ≤ 521.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze (2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one?
The IUPAC name of (2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one (CID 161350586) is (2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one.
What is the SMILES notation for (2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one?
The canonical SMILES for (2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one is CC(=O)N1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CC(=O)N1CCN(C[C@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CC(C)C(=O)[C@@H](CN1CCN(C(C)C)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1.CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.CC1CCN(C[C@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one?
The InChIKey is VNWKSVZSPBTTNM-AMOGOMJZSA-N. The full InChI is InChI=1S/C19H29ClN2O.2C18H25ClN2O2.2C18H26ClNO.C16H22ClNO2/c1-14(2)19(23)18(16-5-7-17(20)8-6-16)13-21-9-11-22(12-10-21)15(3)4;2*1-13(2)18(23)17(15-4-6-16(19)7-5-15)12-20-8-10-21(11-9-20)14(3)22;2*1-13(2)18(21)17(15-4-6-16(19)7-5-15)12-20-10-8-14(3)9-11-20;1-12(2)16(19)15(11-18-7-9-20-10-8-18)13-3-5-14(17)6-4-13/h5-8,14-15,18H,9-13H2,1-4H3;2*4-7,13,17H,8-12H2,1-3H3;2*4-7,13-14,17H,8-12H2,1-3H3;3-6,12,15H,7-11H2,1-2H3/t18-;4*17-;15-/m010100/s1.
What are the key properties of (2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one?
(2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one has a molecular weight of 1922.17 g/mol, XLogP of 21.04, 31 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one is sourced from PubChem (CID 161350586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).