1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid

C15H18N2O3 — CID 82489037

IUPAC1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C1Cc2cc(CN3CCC(C(=O)O)CC3)ccc2N1
InChIInChI=1S/C15H18N2O3/c18-14-8-12-7-10(1-2-13(12)16-14)9-17-5-3-11(4-6-17)15(19)20/h1-2,7,11H,3-6,8-9H2,(H,16,18)(H,19,20)
InChIKeyXCEWSMKDFKOCQA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.48
Rot. Bonds3

About 1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid

1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 82489037) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid
PubChem CID82489037
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C1Cc2cc(CN3CCC(C(=O)O)CC3)ccc2N1
InChIInChI=1S/C15H18N2O3/c18-14-8-12-7-10(1-2-13(12)16-14)9-17-5-3-11(4-6-17)15(19)20/h1-2,7,11H,3-6,8-9H2,(H,16,18)(H,19,20)
InChIKeyXCEWSMKDFKOCQA-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid (CID 82489037) is 1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid is O=C1Cc2cc(CN3CCC(C(=O)O)CC3)ccc2N1.
What is the InChIKey of 1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is XCEWSMKDFKOCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-8-12-7-10(1-2-13(12)16-14)9-17-5-3-11(4-6-17)15(19)20/h1-2,7,11H,3-6,8-9H2,(H,16,18)(H,19,20).
What are the key properties of 1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid?
1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82489037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).