2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid

C18H24N4O3 — CID 95143538

IUPAC2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESCC(C)Cc1noc([C@@H]2CCCN(Cc3ncccc3C(=O)O)C2)n1
InChIInChI=1S/C18H24N4O3/c1-12(2)9-16-20-17(25-21-16)13-5-4-8-22(10-13)11-15-14(18(23)24)6-3-7-19-15/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyUUFOCGFQPZQFGE-CYBMUJFWSA-N
MW344.42 g/mol
LogP2.74
Rot. Bonds6

About 2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid

2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 95143538) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID95143538
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESCC(C)Cc1noc([C@@H]2CCCN(Cc3ncccc3C(=O)O)C2)n1
InChIInChI=1S/C18H24N4O3/c1-12(2)9-16-20-17(25-21-16)13-5-4-8-22(10-13)11-15-14(18(23)24)6-3-7-19-15/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyUUFOCGFQPZQFGE-CYBMUJFWSA-N
XLogP2.74
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95130318
2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50956884
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95208006
2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 136552323
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 95227905
N-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-2-(3-fluoro-2-pyridinyl)acetamide
CID 154796864
5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 124755014
(8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 131928416
5-[1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 131925191
5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 99945566
3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 91778298

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 95143538) is 2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid is CC(C)Cc1noc([C@@H]2CCCN(Cc3ncccc3C(=O)O)C2)n1.
What is the InChIKey of 2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is UUFOCGFQPZQFGE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)9-16-20-17(25-21-16)13-5-4-8-22(10-13)11-15-14(18(23)24)6-3-7-19-15/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,23,24)/t13-/m1/s1.
What are the key properties of 2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 344.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 95143538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).