1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid

C18H20N2O3 — CID 117099763

IUPAC1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid
SMILESC=CCn1c(=O)ccc2cc(N3CCCC(C(=O)O)C3)ccc21
InChIInChI=1S/C18H20N2O3/c1-2-9-20-16-7-6-15(11-13(16)5-8-17(20)21)19-10-3-4-14(12-19)18(22)23/h2,5-8,11,14H,1,3-4,9-10,12H2,(H,22,23)
InChIKeyVTFXNDBJFMYVKZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.49
Rot. Bonds4

About 1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid

1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid (PubChem CID 117099763) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid
PubChem CID117099763
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid
SMILESC=CCn1c(=O)ccc2cc(N3CCCC(C(=O)O)C3)ccc21
InChIInChI=1S/C18H20N2O3/c1-2-9-20-16-7-6-15(11-13(16)5-8-17(20)21)19-10-3-4-14(12-19)18(22)23/h2,5-8,11,14H,1,3-4,9-10,12H2,(H,22,23)
InChIKeyVTFXNDBJFMYVKZ-UHFFFAOYSA-N
XLogP2.49
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-(cyanomethyl)-2-oxoquinolin-6-yl]piperidine-3-carboxylic acid
CID 117099765
1-[4-(prop-2-enylsulfanylmethyl)phenyl]piperidine-3-carboxylic acid
CID 83967233
1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid
CID 117099453
1-(4-formylphenyl)piperidine-3-carboxylic acid
CID 83972018
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
1-(1,3-benzodioxol-5-yl)piperidine-3-carboxylic acid
CID 82537821
1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid
CID 83971736
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
1-[4-(methylsulfanylmethyl)phenyl]piperidine-3-carboxylic acid
CID 83967234
(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid
CID 124676115
1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 174980645
1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid
CID 45156917

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid (CID 117099763) is 1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid is C=CCn1c(=O)ccc2cc(N3CCCC(C(=O)O)C3)ccc21.
What is the InChIKey of 1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid?
The InChIKey is VTFXNDBJFMYVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-9-20-16-7-6-15(11-13(16)5-8-17(20)21)19-10-3-4-14(12-19)18(22)23/h2,5-8,11,14H,1,3-4,9-10,12H2,(H,22,23).
What are the key properties of 1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid?
1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 117099763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).