2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid

C19H18N2O4 — CID 122106252

IUPAC2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H18N2O4/c22-17(13-5-2-1-3-6-13)14-8-11-21(12-9-14)18(23)16-15(19(24)25)7-4-10-20-16/h1-7,10,14H,8-9,11-12H2,(H,24,25)
InChIKeyKMGJWBWQGFGYMH-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.51
Rot. Bonds4

About 2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid

2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid (PubChem CID 122106252) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
PubChem CID122106252
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H18N2O4/c22-17(13-5-2-1-3-6-13)14-8-11-21(12-9-14)18(23)16-15(19(24)25)7-4-10-20-16/h1-7,10,14H,8-9,11-12H2,(H,24,25)
InChIKeyKMGJWBWQGFGYMH-UHFFFAOYSA-N
XLogP2.51
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
2-(4-benzhydrylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 53270719
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 17445120
[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 38175380
2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 114543527
[1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 78836688
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid (CID 122106252) is 2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is KMGJWBWQGFGYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-17(13-5-2-1-3-6-13)14-8-11-21(12-9-14)18(23)16-15(19(24)25)7-4-10-20-16/h1-7,10,14H,8-9,11-12H2,(H,24,25).
What are the key properties of 2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid?
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 122106252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).