(2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid

C17H20N4O3 — CID 95763670

IUPAC(2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid
SMILESCn1cc([C@H]2[C@H](C(=O)O)CCC(=O)N2CCc2cccnc2)cn1
InChIInChI=1S/C17H20N4O3/c1-20-11-13(10-19-20)16-14(17(23)24)4-5-15(22)21(16)8-6-12-3-2-7-18-9-12/h2-3,7,9-11,14,16H,4-6,8H2,1H3,(H,23,24)/t14-,16+/m1/s1
InChIKeyMYSQGQRWCWWCLM-ZBFHGGJFSA-N
MW328.37 g/mol
LogP1.42
Rot. Bonds5

About (2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid

(2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid (PubChem CID 95763670) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid
PubChem CID95763670
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid
SMILESCn1cc([C@H]2[C@H](C(=O)O)CCC(=O)N2CCc2cccnc2)cn1
InChIInChI=1S/C17H20N4O3/c1-20-11-13(10-19-20)16-14(17(23)24)4-5-15(22)21(16)8-6-12-3-2-7-18-9-12/h2-3,7,9-11,14,16H,4-6,8H2,1H3,(H,23,24)/t14-,16+/m1/s1
InChIKeyMYSQGQRWCWWCLM-ZBFHGGJFSA-N
XLogP1.42
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S,3S)-2-(1-methylpyrazol-4-yl)-5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxylic acid
CID 95763675
(2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 95291535
(2S,3R)-1-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291524
(2R,3R)-6-oxo-1-(2-pyridin-3-ylethyl)-2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 95318032
(2R,3R)-1-[2-(2-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291497
(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(thiophen-3-ylmethyl)piperidine-3-carboxylic acid
CID 95321612
(2S,3S)-1-(3-cyclopentyloxypropyl)-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291380
(2S,3R)-2-(1-tert-butylpyrazol-4-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 95337493
(2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291470
(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
CID 95282069
(2R,3S)-6-oxo-2-pyridin-3-yl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 95291784
(2S,3S)-5-oxo-1-propyl-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 167464072

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid (CID 95763670) is (2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid is Cn1cc([C@H]2[C@H](C(=O)O)CCC(=O)N2CCc2cccnc2)cn1.
What is the InChIKey of (2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid?
The InChIKey is MYSQGQRWCWWCLM-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20-11-13(10-19-20)16-14(17(23)24)4-5-15(22)21(16)8-6-12-3-2-7-18-9-12/h2-3,7,9-11,14,16H,4-6,8H2,1H3,(H,23,24)/t14-,16+/m1/s1.
What are the key properties of (2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid?
(2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95763670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).