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

C20H21FN2O3 — CID 96572357

IUPAC(5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
SMILESCc1cccc(N2C[C@@H](C)N(C(=O)COc3ccc(F)cc3)CC2=O)c1
InChIInChI=1S/C20H21FN2O3/c1-14-4-3-5-17(10-14)23-11-15(2)22(12-19(23)24)20(25)13-26-18-8-6-16(21)7-9-18/h3-10,15H,11-13H2,1-2H3/t15-/m1/s1
InChIKeyYDRMILGYGCPYDA-OAHLLOKOSA-N
MW356.40 g/mol
LogP2.78
Rot. Bonds4

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

(5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one (PubChem CID 96572357) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
PubChem CID96572357
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
SMILESCc1cccc(N2C[C@@H](C)N(C(=O)COc3ccc(F)cc3)CC2=O)c1
InChIInChI=1S/C20H21FN2O3/c1-14-4-3-5-17(10-14)23-11-15(2)22(12-19(23)24)20(25)13-26-18-8-6-16(21)7-9-18/h3-10,15H,11-13H2,1-2H3/t15-/m1/s1
InChIKeyYDRMILGYGCPYDA-OAHLLOKOSA-N
XLogP2.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
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
4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 70766347
(5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one
CID 96582385
(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-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139
4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 70779297
2-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822193
1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
CID 110727667
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone
CID 110707721
(5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one
CID 96576956

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one?
The IUPAC name of (5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one (CID 96572357) is (5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one.
What is the SMILES notation for (5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one?
The canonical SMILES for (5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one is Cc1cccc(N2C[C@@H](C)N(C(=O)COc3ccc(F)cc3)CC2=O)c1.
What is the InChIKey of (5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one?
The InChIKey is YDRMILGYGCPYDA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-14-4-3-5-17(10-14)23-11-15(2)22(12-19(23)24)20(25)13-26-18-8-6-16(21)7-9-18/h3-10,15H,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one?
(5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one has a molecular weight of 356.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one is sourced from PubChem (CID 96572357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).