1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione

C14H18N2O3 — CID 117026424

IUPAC1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione
SMILESCC(C)Oc1ccc(N2CCN(C)C(=O)C2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-10(2)19-12-6-4-11(5-7-12)16-9-8-15(3)13(17)14(16)18/h4-7,10H,8-9H2,1-3H3
InChIKeyNITGQMBRXSXCBK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.28
Rot. Bonds3

About 1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione

1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione (PubChem CID 117026424) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione
PubChem CID117026424
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione
SMILESCC(C)Oc1ccc(N2CCN(C)C(=O)C2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-10(2)19-12-6-4-11(5-7-12)16-9-8-15(3)13(17)14(16)18/h4-7,10H,8-9H2,1-3H3
InChIKeyNITGQMBRXSXCBK-UHFFFAOYSA-N
XLogP1.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
CID 117026421
1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione
CID 117013792
3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 54973368
1-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 79778090
1-(4-propan-2-yloxyphenyl)piperazin-2-one
CID 64567030
1-[4-(2-aminoethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117370701
1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117373475
3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid
CID 11530208
1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one
CID 117016200
3,3-dimethyl-1-(4-propan-2-yloxyphenyl)-1,4-diazepane-2,5-dione
CID 64959951
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 11441246

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione?
The IUPAC name of 1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione (CID 117026424) is 1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione?
The canonical SMILES for 1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione is CC(C)Oc1ccc(N2CCN(C)C(=O)C2=O)cc1.
What is the InChIKey of 1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione?
The InChIKey is NITGQMBRXSXCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(2)19-12-6-4-11(5-7-12)16-9-8-15(3)13(17)14(16)18/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione?
1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione has a molecular weight of 262.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione is sourced from PubChem (CID 117026424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).