1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid

C14H22N2O4 — CID 63126649

IUPAC1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C14H22N2O4/c1-2-14(13(19)20)5-7-15(8-6-14)9-10-16-11(17)3-4-12(16)18/h2-10H2,1H3,(H,19,20)
InChIKeyIPSJCOAWDQFNPJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.71
Rot. Bonds5

About 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid

1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63126649) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID63126649
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C14H22N2O4/c1-2-14(13(19)20)5-7-15(8-6-14)9-10-16-11(17)3-4-12(16)18/h2-10H2,1H3,(H,19,20)
InChIKeyIPSJCOAWDQFNPJ-UHFFFAOYSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.71
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

1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 55178150
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63141204
4-ethyl-1-(3-methylsulfanylpropyl)piperidine-4-carboxylic acid
CID 65066458
4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid
CID 63126519
1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid
CID 63126160
1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 141389881
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid
CID 63126773
1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126776
1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176812
1-[2-(azetidin-1-yl)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176425
1-[(5-bromothiophen-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126534

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid (CID 63126649) is 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(CCN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is IPSJCOAWDQFNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-14(13(19)20)5-7-15(8-6-14)9-10-16-11(17)3-4-12(16)18/h2-10H2,1H3,(H,19,20).
What are the key properties of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid?
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).