2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid

C19H22N2O4 — CID 166310383

IUPAC2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESCC(CC1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-12(19(24)25)9-13-5-4-8-21(11-13)18(23)15-10-17(22)20-16-7-3-2-6-14(15)16/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3,(H,20,22)(H,24,25)
InChIKeyIJZIMQJDFANIIX-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.49
Rot. Bonds4

About 2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid

2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 166310383) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID166310383
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESCC(CC1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-12(19(24)25)9-13-5-4-8-21(11-13)18(23)15-10-17(22)20-16-7-3-2-6-14(15)16/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3,(H,20,22)(H,24,25)
InChIKeyIJZIMQJDFANIIX-UHFFFAOYSA-N
XLogP2.49
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124701897
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473
N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480900
4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 94570308
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 47061013
4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one
CID 122260938
4-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 31415081
4-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 42947512
4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95759127
4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 95558519

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid (CID 166310383) is 2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid is CC(CC1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1)C(=O)O.
What is the InChIKey of 2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is IJZIMQJDFANIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(19(24)25)9-13-5-4-8-21(11-13)18(23)15-10-17(22)20-16-7-3-2-6-14(15)16/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3,(H,20,22)(H,24,25).
What are the key properties of 2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid?
2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 342.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 166310383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).