1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid

C16H20N2O4 — CID 142338193

IUPAC1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CN2CC3=C(C=CCC3)C2=O)CC1
InChIInChI=1S/C16H20N2O4/c19-14(17-7-5-11(6-8-17)16(21)22)10-18-9-12-3-1-2-4-13(12)15(18)20/h2,4,11H,1,3,5-10H2,(H,21,22)
InChIKeyCIDDYMWFDJSTNM-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.80
Rot. Bonds3

About 1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 142338193) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID142338193
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CN2CC3=C(C=CCC3)C2=O)CC1
InChIInChI=1S/C16H20N2O4/c19-14(17-7-5-11(6-8-17)16(21)22)10-18-9-12-3-1-2-4-13(12)15(18)20/h2,4,11H,1,3,5-10H2,(H,21,22)
InChIKeyCIDDYMWFDJSTNM-UHFFFAOYSA-N
XLogP0.80
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid (CID 142338193) is 1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CN2CC3=C(C=CCC3)C2=O)CC1.
What is the InChIKey of 1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is CIDDYMWFDJSTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-14(17-7-5-11(6-8-17)16(21)22)10-18-9-12-3-1-2-4-13(12)15(18)20/h2,4,11H,1,3,5-10H2,(H,21,22).
What are the key properties of 1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 142338193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).