(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid

C14H16N4O3 — CID 94074874

IUPAC(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESCc1noc(-c2ccc(N3CCC[C@@H](C(=O)O)C3)nc2)n1
InChIInChI=1S/C14H16N4O3/c1-9-16-13(21-17-9)10-4-5-12(15-7-10)18-6-2-3-11(8-18)14(19)20/h4-5,7,11H,2-3,6,8H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyHGHSAXRQPRRILF-LLVKDONJSA-N
MW288.31 g/mol
LogP1.74
Rot. Bonds3

About (3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid

(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 94074874) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is (3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
PubChem CID94074874
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESCc1noc(-c2ccc(N3CCC[C@@H](C(=O)O)C3)nc2)n1
InChIInChI=1S/C14H16N4O3/c1-9-16-13(21-17-9)10-4-5-12(15-7-10)18-6-2-3-11(8-18)14(19)20/h4-5,7,11H,2-3,6,8H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyHGHSAXRQPRRILF-LLVKDONJSA-N
XLogP1.74
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 97279213
1-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 71794394
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 71794401
N-[1-(furan-2-yl)ethyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 71794408
1-[[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56704880
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 72844232
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 71563740
N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 97104559
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid
CID 71564461

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid (CID 94074874) is (3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid is Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)O)C3)nc2)n1.
What is the InChIKey of (3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
The InChIKey is HGHSAXRQPRRILF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-16-13(21-17-9)10-4-5-12(15-7-10)18-6-2-3-11(8-18)14(19)20/h4-5,7,11H,2-3,6,8H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 94074874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).