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

C12H19N3O3 — CID 61495823

IUPAC1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
SMILESCCCc1nc(CN2CCCCC2C(=O)O)no1
InChIInChI=1S/C12H19N3O3/c1-2-5-11-13-10(14-18-11)8-15-7-4-3-6-9(15)12(16)17/h9H,2-8H2,1H3,(H,16,17)
InChIKeyOKRWKPGQTXJPPB-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.46
Rot. Bonds5

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

1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 61495823) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
PubChem CID61495823
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
SMILESCCCc1nc(CN2CCCCC2C(=O)O)no1
InChIInChI=1S/C12H19N3O3/c1-2-5-11-13-10(14-18-11)8-15-7-4-3-6-9(15)12(16)17/h9H,2-8H2,1H3,(H,16,17)
InChIKeyOKRWKPGQTXJPPB-UHFFFAOYSA-N
XLogP1.46
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 43355954
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62021392
1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377182
[1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanol
CID 110903092
methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate
CID 79832899
tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80999649
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanone
CID 63846365
5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 83193478
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62654263
1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909685
(2R,3S)-2-methyl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide
CID 128986971

Frequently Asked Questions

What is the IUPAC name of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid (CID 61495823) is 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid is CCCc1nc(CN2CCCCC2C(=O)O)no1.
What is the InChIKey of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is OKRWKPGQTXJPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-5-11-13-10(14-18-11)8-15-7-4-3-6-9(15)12(16)17/h9H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid?
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61495823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).