3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid

C19H20N2O4 — CID 72840586

IUPAC3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(C2CCCN(C(=O)Cn3ccccc3=O)C2)c1
InChIInChI=1S/C19H20N2O4/c22-17-8-1-2-9-21(17)13-18(23)20-10-4-7-16(12-20)14-5-3-6-15(11-14)19(24)25/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,24,25)
InChIKeyZPGCKBJPWCIBCC-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.95
Rot. Bonds4

About 3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid

3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid (PubChem CID 72840586) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
PubChem CID72840586
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(C2CCCN(C(=O)Cn3ccccc3=O)C2)c1
InChIInChI=1S/C19H20N2O4/c22-17-8-1-2-9-21(17)13-18(23)20-10-4-7-16(12-20)14-5-3-6-15(11-14)19(24)25/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,24,25)
InChIKeyZPGCKBJPWCIBCC-UHFFFAOYSA-N
XLogP1.95
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
CID 72852455
3-[(3R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]benzoic acid
CID 97200984
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347
3-[(3R)-1-[2-(cyclopropylmethylsulfanyl)acetyl]piperidin-3-yl]benzoic acid
CID 97190325
3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid
CID 97205647
3-[1-[2-(2-pyrrolidin-1-ylethylsulfanyl)acetyl]piperidin-3-yl]benzoic acid
CID 72878294
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
CID 50742353
N-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]benzamide
CID 24645620
4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid
CID 97194322
3-[(3S)-1-(4-imidazol-1-ylbutanoyl)piperidin-3-yl]benzoic acid
CID 97196298
3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzoic acid
CID 72871214
2-[2-oxo-2-(3-phenylazepan-1-yl)ethyl]pyridazin-3-one
CID 121146184

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid?
The IUPAC name of 3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid (CID 72840586) is 3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid.
What is the SMILES notation for 3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid?
The canonical SMILES for 3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid is O=C(O)c1cccc(C2CCCN(C(=O)Cn3ccccc3=O)C2)c1.
What is the InChIKey of 3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid?
The InChIKey is ZPGCKBJPWCIBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17-8-1-2-9-21(17)13-18(23)20-10-4-7-16(12-20)14-5-3-6-15(11-14)19(24)25/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,24,25).
What are the key properties of 3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid?
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid is sourced from PubChem (CID 72840586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).