1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid

C14H16N2O3 — CID 117099453

IUPAC1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid
SMILESO=C1Cc2cc(N3CCCC(C(=O)O)C3)ccc2N1
InChIInChI=1S/C14H16N2O3/c17-13-7-10-6-11(3-4-12(10)15-13)16-5-1-2-9(8-16)14(18)19/h3-4,6,9H,1-2,5,7-8H2,(H,15,17)(H,18,19)
InChIKeyORCURXGGQDJUQS-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.48
Rot. Bonds2

About 1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid

1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid (PubChem CID 117099453) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid
PubChem CID117099453
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid
SMILESO=C1Cc2cc(N3CCCC(C(=O)O)C3)ccc2N1
InChIInChI=1S/C14H16N2O3/c17-13-7-10-6-11(3-4-12(10)15-13)16-5-1-2-9(8-16)14(18)19/h3-4,6,9H,1-2,5,7-8H2,(H,15,17)(H,18,19)
InChIKeyORCURXGGQDJUQS-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 23363883
1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid
CID 82489037
(2S)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 45290992
(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 96669399
(3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 125134746
(3R)-1-[(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)sulfonyl]piperidine-3-carboxylic acid
CID 28819887
5-(cyclopentanecarbonyl)-1,3-dihydroindol-2-one
CID 43160619
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
1-(1,3-benzodioxol-5-yl)piperidine-3-carboxylic acid
CID 82537821
5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one
CID 65018582
1-(4-formylphenyl)piperidine-3-carboxylic acid
CID 83972018
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid (CID 117099453) is 1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid is O=C1Cc2cc(N3CCCC(C(=O)O)C3)ccc2N1.
What is the InChIKey of 1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid?
The InChIKey is ORCURXGGQDJUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13-7-10-6-11(3-4-12(10)15-13)16-5-1-2-9(8-16)14(18)19/h3-4,6,9H,1-2,5,7-8H2,(H,15,17)(H,18,19).
What are the key properties of 1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid?
1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.48, 2 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)piperidine-3-carboxylic acid is sourced from PubChem (CID 117099453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).