(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one

C20H22N2O3 — CID 96580506

IUPAC(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2C[C@@H](C)N(C(=O)Cc3cccc(O)c3)CC2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-14-6-8-17(9-7-14)22-12-15(2)21(13-20(22)25)19(24)11-16-4-3-5-18(23)10-16/h3-10,15,23H,11-13H2,1-2H3/t15-/m1/s1
InChIKeyOKMPFIRSOPDSTB-OAHLLOKOSA-N
MW338.41 g/mol
LogP2.51
Rot. Bonds3

About (5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one

(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one (PubChem CID 96580506) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
PubChem CID96580506
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2C[C@@H](C)N(C(=O)Cc3cccc(O)c3)CC2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-14-6-8-17(9-7-14)22-12-15(2)21(13-20(22)25)19(24)11-16-4-3-5-18(23)10-16/h3-10,15,23H,11-13H2,1-2H3/t15-/m1/s1
InChIKeyOKMPFIRSOPDSTB-OAHLLOKOSA-N
XLogP2.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-methyl-4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96579575
(5S)-4-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96575295
4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 70766347
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970
(5S)-5-methyl-1-(4-methylphenyl)-4-(2-propylsulfanylacetyl)piperazin-2-one
CID 96580243
1-[2-methyl-4-(4-methylphenyl)-5-oxopiperazin-1-yl]-4-phenylbutane-1,2-dione
CID 70725997
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 61400367
5-methyl-1-(4-methylphenyl)-4-[3-(1-methylpiperidin-4-yl)propanoyl]piperazin-2-one
CID 70767280
(5S)-5-methyl-1-(4-methylphenyl)-4-[4-(2-oxopiperidin-1-yl)butanoyl]piperazin-2-one
CID 96578839
4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70743002
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of (5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one (CID 96580506) is (5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for (5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for (5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2C[C@@H](C)N(C(=O)Cc3cccc(O)c3)CC2=O)cc1.
What is the InChIKey of (5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is OKMPFIRSOPDSTB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-6-8-17(9-7-14)22-12-15(2)21(13-20(22)25)19(24)11-16-4-3-5-18(23)10-16/h3-10,15,23H,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one?
(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 96580506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).