4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid

C19H20N2O4 — CID 72852455

IUPAC4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(C2CCCN(C(=O)Cn3ccccc3=O)C2)cc1
InChIInChI=1S/C19H20N2O4/c22-17-5-1-2-10-21(17)13-18(23)20-11-3-4-16(12-20)14-6-8-15(9-7-14)19(24)25/h1-2,5-10,16H,3-4,11-13H2,(H,24,25)
InChIKeyBJBRTVPABHHNFD-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.95
Rot. Bonds4

About 4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid

4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid (PubChem CID 72852455) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
PubChem CID72852455
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(C2CCCN(C(=O)Cn3ccccc3=O)C2)cc1
InChIInChI=1S/C19H20N2O4/c22-17-5-1-2-10-21(17)13-18(23)20-11-3-4-16(12-20)14-6-8-15(9-7-14)19(24)25/h1-2,5-10,16H,3-4,11-13H2,(H,24,25)
InChIKeyBJBRTVPABHHNFD-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

3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
CID 72840586
4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid
CID 97194322
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
4-[(3R)-1-(3-cyclopropylpropanoyl)piperidin-3-yl]benzoic acid
CID 97193946
2-[2-oxo-2-(3-phenylazepan-1-yl)ethyl]pyridazin-3-one
CID 121146184
4-[1-(3-methoxypropanoyl)piperidin-3-yl]benzoic acid
CID 72850979
4-[1-[2-(diethylamino)acetyl]piperidin-3-yl]benzoic acid
CID 72876996
1-[2-oxo-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
CID 71993940
N-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]benzamide
CID 24645620
1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 120994925
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid (CID 72852455) is 4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid is O=C(O)c1ccc(C2CCCN(C(=O)Cn3ccccc3=O)C2)cc1.
What is the InChIKey of 4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid?
The InChIKey is BJBRTVPABHHNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17-5-1-2-10-21(17)13-18(23)20-11-3-4-16(12-20)14-6-8-15(9-7-14)19(24)25/h1-2,5-10,16H,3-4,11-13H2,(H,24,25).
What are the key properties of 4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid?
4-[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 4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid is sourced from PubChem (CID 72852455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).