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

C20H22N2O3 — CID 70766347

IUPAC4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
SMILESCc1cccc(N2CC(C)N(C(=O)Cc3ccccc3O)CC2=O)c1
InChIInChI=1S/C20H22N2O3/c1-14-6-5-8-17(10-14)22-12-15(2)21(13-20(22)25)19(24)11-16-7-3-4-9-18(16)23/h3-10,15,23H,11-13H2,1-2H3
InChIKeyIWJBLHMGMAWSJW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.51
Rot. Bonds3

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

4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one (PubChem CID 70766347) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
PubChem CID70766347
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
SMILESCc1cccc(N2CC(C)N(C(=O)Cc3ccccc3O)CC2=O)c1
InChIInChI=1S/C20H22N2O3/c1-14-6-5-8-17(10-14)22-12-15(2)21(13-20(22)25)19(24)11-16-7-3-4-9-18(16)23/h3-10,15,23H,11-13H2,1-2H3
InChIKeyIWJBLHMGMAWSJW-UHFFFAOYSA-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

(5S)-4-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96575295
(5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96572357
(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580506
(5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
CID 96577675
(5S)-4-(2-hydroxy-3-methoxybenzoyl)-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96579782
4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 70779297
1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one
CID 70709682
(5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one
CID 96582385
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
1-[2-methyl-4-(4-methylphenyl)-5-oxopiperazin-1-yl]-4-phenylbutane-1,2-dione
CID 70725997
(5S)-5-methyl-1-(4-methylphenyl)-4-(2-propylsulfanylacetyl)piperazin-2-one
CID 96580243

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one (CID 70766347) is 4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one is Cc1cccc(N2CC(C)N(C(=O)Cc3ccccc3O)CC2=O)c1.
What is the InChIKey of 4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one?
The InChIKey is IWJBLHMGMAWSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-6-5-8-17(10-14)22-12-15(2)21(13-20(22)25)19(24)11-16-7-3-4-9-18(16)23/h3-10,15,23H,11-13H2,1-2H3.
What are the key properties of 4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one?
4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-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 4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70766347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).