(2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid

C16H18N4O3 — CID 122116403

IUPAC(2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C16H18N4O3/c1-11-13(16(22)23)4-2-8-19(11)15(21)14-10-12(5-7-17-14)20-9-3-6-18-20/h3,5-7,9-11,13H,2,4,8H2,1H3,(H,22,23)/t11-,13-/m1/s1
InChIKeySOIGLHZNSPASPC-DGCLKSJQSA-N
MW314.34 g/mol
LogP1.59
Rot. Bonds3

About (2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid

(2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122116403) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID122116403
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name(2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C16H18N4O3/c1-11-13(16(22)23)4-2-8-19(11)15(21)14-10-12(5-7-17-14)20-9-3-6-18-20/h3,5-7,9-11,13H,2,4,8H2,1H3,(H,22,23)/t11-,13-/m1/s1
InChIKeySOIGLHZNSPASPC-DGCLKSJQSA-N
XLogP1.59
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 122115467
2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056228
(2R,3R)-1-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115846
(2R,3R)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115319
(2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116626
(2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 122116627
(2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122115093
1,4-diazepan-1-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone
CID 119414516
(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone
CID 71980018
(2R,3R)-2-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 122116549
(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78920096
(2R,3R)-1-[1-(2,4-dichlorophenyl)pyrazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122116901

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid (CID 122116403) is (2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cc(-n2cccn2)ccn1.
What is the InChIKey of (2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is SOIGLHZNSPASPC-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-13(16(22)23)4-2-8-19(11)15(21)14-10-12(5-7-17-14)20-9-3-6-18-20/h3,5-7,9-11,13H,2,4,8H2,1H3,(H,22,23)/t11-,13-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid?
(2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122116403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).