4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid

C23H22N2O4 — CID 97194322

IUPAC4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc([C@H]2CCCN(C(=O)Cn3ccc(=O)c4ccccc43)C2)cc1
InChIInChI=1S/C23H22N2O4/c26-21-11-13-24(20-6-2-1-5-19(20)21)15-22(27)25-12-3-4-18(14-25)16-7-9-17(10-8-16)23(28)29/h1-2,5-11,13,18H,3-4,12,14-15H2,(H,28,29)/t18-/m0/s1
InChIKeyATFDUNSDNMODQL-SFHVURJKSA-N
MW390.44 g/mol
LogP3.11
Rot. Bonds4

About 4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid

4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid (PubChem CID 97194322) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid
PubChem CID97194322
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc([C@H]2CCCN(C(=O)Cn3ccc(=O)c4ccccc43)C2)cc1
InChIInChI=1S/C23H22N2O4/c26-21-11-13-24(20-6-2-1-5-19(20)21)15-22(27)25-12-3-4-18(14-25)16-7-9-17(10-8-16)23(28)29/h1-2,5-11,13,18H,3-4,12,14-15H2,(H,28,29)/t18-/m0/s1
InChIKeyATFDUNSDNMODQL-SFHVURJKSA-N
XLogP3.11
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid with MolForge

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Related Compounds

1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91767931
4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
CID 72852455
1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 124622920
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]quinolin-4-one
CID 95588154
4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid
CID 97209889
4-[(3R)-1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-3-yl]benzoic acid
CID 97210569
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
CID 72840586
4-[(3R)-1-(3-cyclopropylpropanoyl)piperidin-3-yl]benzoic acid
CID 97193946
2-[2-oxo-2-[(4S)-4-phenylazepan-1-yl]ethyl]isoquinolin-1-one
CID 97269389
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
CID 119650725
4-[1-(3-methoxypropanoyl)piperidin-3-yl]benzoic acid
CID 72850979
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid (CID 97194322) is 4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid is O=C(O)c1ccc([C@H]2CCCN(C(=O)Cn3ccc(=O)c4ccccc43)C2)cc1.
What is the InChIKey of 4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid?
The InChIKey is ATFDUNSDNMODQL-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-21-11-13-24(20-6-2-1-5-19(20)21)15-22(27)25-12-3-4-18(14-25)16-7-9-17(10-8-16)23(28)29/h1-2,5-11,13,18H,3-4,12,14-15H2,(H,28,29)/t18-/m0/s1.
What are the key properties of 4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid?
4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid has a molecular weight of 390.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid is sourced from PubChem (CID 97194322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).