1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid

C16H16N2O5 — CID 45427138

IUPAC1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2C1=O
InChIInChI=1S/C16H16N2O5/c1-17-14(20)11-3-2-10(8-12(11)15(17)21)13(19)18-6-4-9(5-7-18)16(22)23/h2-3,8-9H,4-7H2,1H3,(H,22,23)
InChIKeyUFFZZOLUNRQFNF-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.85
Rot. Bonds2

About 1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid

1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 45427138) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID45427138
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2C1=O
InChIInChI=1S/C16H16N2O5/c1-17-14(20)11-3-2-10(8-12(11)15(17)21)13(19)18-6-4-9(5-7-18)16(22)23/h2-3,8-9H,4-7H2,1H3,(H,22,23)
InChIKeyUFFZZOLUNRQFNF-UHFFFAOYSA-N
XLogP0.85
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 119485321
2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione
CID 46679856
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 84613952
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 119467995
1-(2,3-dihydro-1H-isoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 115867074
1-(3-amino-4-methylbenzoyl)piperidine-4-carboxylic acid
CID 61158258
5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 24586303
1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
CID 82472992
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 110465982

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid (CID 45427138) is 1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid is CN1C(=O)c2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2C1=O.
What is the InChIKey of 1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is UFFZZOLUNRQFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-17-14(20)11-3-2-10(8-12(11)15(17)21)13(19)18-6-4-9(5-7-18)16(22)23/h2-3,8-9H,4-7H2,1H3,(H,22,23).
What are the key properties of 1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid?
1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 316.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 45427138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).