(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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide

C87H125Cl5N10O10 — CID 162072273

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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide
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(CCO)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN1CCN(CCO)CC1)c1ccc(Cl)cc1.CNC(=O)CNC[C@@H](C(=O)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/2C18H25ClN2O2.2C18H27ClN2O2.C15H21ClN2O2/c2*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*1-14(2)18(23)17(15-3-5-16(19)6-4-15)13-21-9-7-20(8-10-21)11-12-22;1-10(2)15(20)13(8-18-9-14(19)17-3)11-4-6-12(16)7-5-11/h2*4-7,13,17H,8-12H2,1-3H3;2*3-6,14,17,22H,7-13H2,1-2H3;4-7,10,13,18H,8-9H2,1-3H3,(H,17,19)/t4*17-;13-/m10101/s1
InChIKeyZBGBPOSUVSXWRQ-TZGDFCETSA-N
MW1648.28 g/mol
LogP12.13
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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide

(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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide (PubChem CID 162072273) has the molecular formula C87H125Cl5N10O10 and a molecular weight of 1648.28 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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide.

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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide
PubChem CID162072273
Molecular FormulaC87H125Cl5N10O10
Molecular Weight1648.28 g/mol
Exact Mass1644.80
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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide
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(CCO)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN1CCN(CCO)CC1)c1ccc(Cl)cc1.CNC(=O)CNC[C@@H](C(=O)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/2C18H25ClN2O2.2C18H27ClN2O2.C15H21ClN2O2/c2*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*1-14(2)18(23)17(15-3-5-16(19)6-4-15)13-21-9-7-20(8-10-21)11-12-22;1-10(2)15(20)13(8-18-9-14(19)17-3)11-4-6-12(16)7-5-11/h2*4-7,13,17H,8-12H2,1-3H3;2*3-6,14,17,22H,7-13H2,1-2H3;4-7,10,13,18H,8-9H2,1-3H3,(H,17,19)/t4*17-;13-/m10101/s1
InChIKeyZBGBPOSUVSXWRQ-TZGDFCETSA-N
XLogP12.13
TPSA227.00 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds31
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001648.28
LogP ≤ 512.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide with MolForge

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Related Compounds

(3S)-3-(4-chlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-2-one
CID 66767699
1-[4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperazin-1-yl]ethanone
CID 58458387
2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpentan-3-one
CID 59670883
(2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one
CID 59670872
(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
(2S)-2-(4-chlorophenyl)-4-methyl-1-(1,4-oxazepan-4-yl)pentan-3-one
CID 59670900
(2S)-2-(4-chlorophenyl)-4-methyl-1-(3-methylazetidin-1-yl)pentan-3-one
CID 66767073
(2R)-2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
CID 59670677
2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
CID 71133249
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136
3-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-one
CID 77427140
(3S)-3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)butan-2-one
CID 71123868

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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide?
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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide (CID 162072273) 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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide.
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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide?
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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide 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(CCO)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN1CCN(CCO)CC1)c1ccc(Cl)cc1.CNC(=O)CNC[C@@H](C(=O)C(C)C)c1ccc(Cl)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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide?
The InChIKey is ZBGBPOSUVSXWRQ-TZGDFCETSA-N. The full InChI is InChI=1S/2C18H25ClN2O2.2C18H27ClN2O2.C15H21ClN2O2/c2*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*1-14(2)18(23)17(15-3-5-16(19)6-4-15)13-21-9-7-20(8-10-21)11-12-22;1-10(2)15(20)13(8-18-9-14(19)17-3)11-4-6-12(16)7-5-11/h2*4-7,13,17H,8-12H2,1-3H3;2*3-6,14,17,22H,7-13H2,1-2H3;4-7,10,13,18H,8-9H2,1-3H3,(H,17,19)/t4*17-;13-/m10101/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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide?
(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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide has a molecular weight of 1648.28 g/mol, XLogP of 12.13, 31 rotatable bonds, 4 hydrogen bond donors, and 17 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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-3-one;2-[[(2S)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]amino]-N-methylacetamide is sourced from PubChem (CID 162072273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).