1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione

C14H17NO3 — CID 117013792

IUPAC1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione
SMILESCC(C)Oc1ccc(N2CCCC(=O)C2=O)cc1
InChIInChI=1S/C14H17NO3/c1-10(2)18-12-7-5-11(6-8-12)15-9-3-4-13(16)14(15)17/h5-8,10H,3-4,9H2,1-2H3
InChIKeyPTORXZVYWOGXGJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.17
Rot. Bonds3

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

1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione (PubChem CID 117013792) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione
PubChem CID117013792
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione
SMILESCC(C)Oc1ccc(N2CCCC(=O)C2=O)cc1
InChIInChI=1S/C14H17NO3/c1-10(2)18-12-7-5-11(6-8-12)15-9-3-4-13(16)14(15)17/h5-8,10H,3-4,9H2,1-2H3
InChIKeyPTORXZVYWOGXGJ-UHFFFAOYSA-N
XLogP2.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.17
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-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione
CID 117026424
1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one
CID 117016200
1-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 79778090
1-(4-propan-2-yloxyphenyl)piperazin-2-one
CID 64567030
3,3-dimethyl-1-(4-propan-2-yloxyphenyl)-1,4-diazepane-2,5-dione
CID 64959951
3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 54973368
3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid
CID 11530208
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574156
4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine
CID 118634170
(2Z)-2-[(4-propan-2-yloxyphenyl)methylidene]cyclohexan-1-one
CID 68642964
3-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575255
3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575216

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione (CID 117013792) is 1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione is CC(C)Oc1ccc(N2CCCC(=O)C2=O)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione?
The InChIKey is PTORXZVYWOGXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(2)18-12-7-5-11(6-8-12)15-9-3-4-13(16)14(15)17/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione?
1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione has a molecular weight of 247.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione is sourced from PubChem (CID 117013792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).