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

C16H20N2O3 — CID 106901905

IUPAC1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(C(=O)C2CCNCC2)C1
InChIInChI=1S/C16H20N2O3/c19-15(11-5-7-17-8-6-11)18-10-13(16(20)21)9-12-3-1-2-4-14(12)18/h1-4,11,13,17H,5-10H2,(H,20,21)
InChIKeyGUIHYDKRIOUFAD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.28
Rot. Bonds2

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

1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106901905) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106901905
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(C(=O)C2CCNCC2)C1
InChIInChI=1S/C16H20N2O3/c19-15(11-5-7-17-8-6-11)18-10-13(16(20)21)9-12-3-1-2-4-14(12)18/h1-4,11,13,17H,5-10H2,(H,20,21)
InChIKeyGUIHYDKRIOUFAD-UHFFFAOYSA-N
XLogP1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901890
1-(piperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565075
1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902245
1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901863
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
CID 82274959
1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902469
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942
(3R)-2-(piperidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61158579
1-(2-methylsulfonylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902475
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901919

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106901905) is 1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is O=C(O)C1Cc2ccccc2N(C(=O)C2CCNCC2)C1.
What is the InChIKey of 1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is GUIHYDKRIOUFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(11-5-7-17-8-6-11)18-10-13(16(20)21)9-12-3-1-2-4-14(12)18/h1-4,11,13,17H,5-10H2,(H,20,21).
What are the key properties of 1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106901905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).