4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid

C17H18N2O5 — CID 166224998

IUPAC4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(Cc1cc2ccccc2[nH]c1=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H18N2O5/c20-14(19-7-5-17(24,6-8-19)16(22)23)10-12-9-11-3-1-2-4-13(11)18-15(12)21/h1-4,9,24H,5-8,10H2,(H,18,21)(H,22,23)
InChIKeyIQIMKSBQYOTZAW-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.51
Rot. Bonds3

About 4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 166224998) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID166224998
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(Cc1cc2ccccc2[nH]c1=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H18N2O5/c20-14(19-7-5-17(24,6-8-19)16(22)23)10-12-9-11-3-1-2-4-13(11)18-15(12)21/h1-4,9,24H,5-8,10H2,(H,18,21)(H,22,23)
InChIKeyIQIMKSBQYOTZAW-UHFFFAOYSA-N
XLogP0.51
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
2-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-4-yl]acetamide
CID 56815967
3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 124628242
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119251873
4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251084
6-[2-(2-oxo-1H-quinolin-3-yl)acetyl]-6-azaspiro[4.5]decane-8-carboxylic acid
CID 154871809
1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 166267205
1-[2-(2,3-difluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528129
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
CID 126790396
(3S)-2-[2-(2-oxo-1H-quinolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125151333

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid (CID 166224998) is 4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid is O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is IQIMKSBQYOTZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-14(19-7-5-17(24,6-8-19)16(22)23)10-12-9-11-3-1-2-4-13(11)18-15(12)21/h1-4,9,24H,5-8,10H2,(H,18,21)(H,22,23).
What are the key properties of 4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 166224998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).