1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid

C16H18N2O4 — CID 82224049

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O4/c19-14-11-5-1-2-6-12(11)15(20)18(14)10-9-17-8-4-3-7-13(17)16(21)22/h1-2,5-6,13H,3-4,7-10H2,(H,21,22)
InChIKeyBGTAIGGHKKSZJG-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.22
Rot. Bonds4

About 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid (PubChem CID 82224049) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid
PubChem CID82224049
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O4/c19-14-11-5-1-2-6-12(11)15(20)18(14)10-9-17-8-4-3-7-13(17)16(21)22/h1-2,5-6,13H,3-4,7-10H2,(H,21,22)
InChIKeyBGTAIGGHKKSZJG-UHFFFAOYSA-N
XLogP1.22
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.22
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

2-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]isoindole-1,3-dione
CID 11930918
1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
CID 22225856
2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 95568169
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide
CID 39903901
1-(2-benzylsulfanylethyl)piperidine-2-carboxylic acid
CID 122040507
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate
CID 124613957
1-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethylsulfonyl]pyrrolidine-2-carboxylic acid
CID 122068613
1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid
CID 175785557
1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid
CID 43441149
1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid
CID 82224108

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid (CID 82224049) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid?
The InChIKey is BGTAIGGHKKSZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-14-11-5-1-2-6-12(11)15(20)18(14)10-9-17-8-4-3-7-13(17)16(21)22/h1-2,5-6,13H,3-4,7-10H2,(H,21,22).
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid?
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 82224049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).