1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one

C22H26N2O3 — CID 70727058

IUPAC1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CCCOCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C22H26N2O3/c1-18-9-11-20(12-10-18)24-14-13-23(16-22(24)26)21(25)8-5-15-27-17-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3
InChIKeyFLUPPVMYFYVIMJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.17
Rot. Bonds7

About 1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one

1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one (PubChem CID 70727058) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one
PubChem CID70727058
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CCCOCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C22H26N2O3/c1-18-9-11-20(12-10-18)24-14-13-23(16-22(24)26)21(25)8-5-15-27-17-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3
InChIKeyFLUPPVMYFYVIMJ-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70765820
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
4-pentanoyl-1-phenyl-1,4-diazepan-2-one
CID 110873832
1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one
CID 56909574
1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
CID 96579737
4-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70748846
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-4-phenylmethoxybutan-1-one
CID 91797629
4-phenylmethoxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 49374332
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one
CID 96573400
4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96580689
4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 70765317

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one (CID 70727058) is 1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)CCCOCc3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one?
The InChIKey is FLUPPVMYFYVIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-18-9-11-20(12-10-18)24-14-13-23(16-22(24)26)21(25)8-5-15-27-17-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one?
1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one has a molecular weight of 366.46 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one is sourced from PubChem (CID 70727058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).