3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid

C19H22N2O4 — CID 126790396

IUPAC3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H22N2O4/c22-17(21-10-4-3-6-15(21)8-9-18(23)24)12-14-11-13-5-1-2-7-16(13)20-19(14)25/h1-2,5,7,11,15H,3-4,6,8-10,12H2,(H,20,25)(H,23,24)
InChIKeyCUMBYDRGNVYASV-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.32
Rot. Bonds5

About 3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid

3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid (PubChem CID 126790396) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
PubChem CID126790396
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H22N2O4/c22-17(21-10-4-3-6-15(21)8-9-18(23)24)12-14-11-13-5-1-2-7-16(13)20-19(14)25/h1-2,5,7,11,15H,3-4,6,8-10,12H2,(H,20,25)(H,23,24)
InChIKeyCUMBYDRGNVYASV-UHFFFAOYSA-N
XLogP2.32
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110355917
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
CID 56817964
3-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 136566373
3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
CID 166270647
3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 124628242
6-[2-(2-oxo-1H-quinolin-3-yl)acetyl]-6-azaspiro[4.5]decane-8-carboxylic acid
CID 154871809
(3S)-2-[2-(2-oxo-1H-quinolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125151333
2-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-4-yl]acetamide
CID 56815967
3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 77086103
3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56718060
4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid
CID 166224998

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid (CID 126790396) is 3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid?
The InChIKey is CUMBYDRGNVYASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-17(21-10-4-3-6-15(21)8-9-18(23)24)12-14-11-13-5-1-2-7-16(13)20-19(14)25/h1-2,5,7,11,15H,3-4,6,8-10,12H2,(H,20,25)(H,23,24).
What are the key properties of 3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid?
3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid has a molecular weight of 342.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 126790396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).