1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid

C16H18N2O4 — CID 119135688

IUPAC1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C1CC(C(=O)N2CCC(C(=O)O)CC2)c2ccccc2N1
InChIInChI=1S/C16H18N2O4/c19-14-9-12(11-3-1-2-4-13(11)17-14)15(20)18-7-5-10(6-8-18)16(21)22/h1-4,10,12H,5-9H2,(H,17,19)(H,21,22)
InChIKeyPHYCDJQZHPIGRU-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.44
Rot. Bonds2

About 1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid

1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119135688) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID119135688
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C1CC(C(=O)N2CCC(C(=O)O)CC2)c2ccccc2N1
InChIInChI=1S/C16H18N2O4/c19-14-9-12(11-3-1-2-4-13(11)17-14)15(20)18-7-5-10(6-8-18)16(21)22/h1-4,10,12H,5-9H2,(H,17,19)(H,21,22)
InChIKeyPHYCDJQZHPIGRU-UHFFFAOYSA-N
XLogP1.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid (CID 119135688) is 1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid is O=C1CC(C(=O)N2CCC(C(=O)O)CC2)c2ccccc2N1.
What is the InChIKey of 1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is PHYCDJQZHPIGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-14-9-12(11-3-1-2-4-13(11)17-14)15(20)18-7-5-10(6-8-18)16(21)22/h1-4,10,12H,5-9H2,(H,17,19)(H,21,22).
What are the key properties of 1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid?
1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119135688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).