2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid

C14H17N3O4 — CID 63616081

IUPAC2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCC(=O)NC1CCCN(C(=O)c2ncccc2C(=O)O)C1
InChIInChI=1S/C14H17N3O4/c1-9(18)16-10-4-3-7-17(8-10)13(19)12-11(14(20)21)5-2-6-15-12/h2,5-6,10H,3-4,7-8H2,1H3,(H,16,18)(H,20,21)
InChIKeyFHQYMTGEANJIFX-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.52
Rot. Bonds3

About 2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid

2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid (PubChem CID 63616081) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
PubChem CID63616081
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCC(=O)NC1CCCN(C(=O)c2ncccc2C(=O)O)C1
InChIInChI=1S/C14H17N3O4/c1-9(18)16-10-4-3-7-17(8-10)13(19)12-11(14(20)21)5-2-6-15-12/h2,5-6,10H,3-4,7-8H2,1H3,(H,16,18)(H,20,21)
InChIKeyFHQYMTGEANJIFX-UHFFFAOYSA-N
XLogP0.52
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 103194984
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054
N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[1-[3-(3-hydroxy-2-pyridinyl)benzoyl]piperidin-3-yl]acetamide
CID 121494225
N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide
CID 61109681
N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
CID 105380881
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616571
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid (CID 63616081) is 2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid is CC(=O)NC1CCCN(C(=O)c2ncccc2C(=O)O)C1.
What is the InChIKey of 2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is FHQYMTGEANJIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9(18)16-10-4-3-7-17(8-10)13(19)12-11(14(20)21)5-2-6-15-12/h2,5-6,10H,3-4,7-8H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid?
2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63616081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).