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

C12H19N3O2 — CID 62654263

IUPAC1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde
SMILESCCCc1noc(CN2CCCCC2C=O)n1
InChIInChI=1S/C12H19N3O2/c1-2-5-11-13-12(17-14-11)8-15-7-4-3-6-10(15)9-16/h9-10H,2-8H2,1H3
InChIKeySDJWSPFTLXDWGP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.58
Rot. Bonds5

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

1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde (PubChem CID 62654263) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde
PubChem CID62654263
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde
SMILESCCCc1noc(CN2CCCCC2C=O)n1
InChIInChI=1S/C12H19N3O2/c1-2-5-11-13-12(17-14-11)8-15-7-4-3-6-10(15)9-16/h9-10H,2-8H2,1H3
InChIKeySDJWSPFTLXDWGP-UHFFFAOYSA-N
XLogP1.58
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79544032
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 61495823
tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80999649
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 134038787
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79545540
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62021392
1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol
CID 111106995
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787
methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038420
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62655744

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde (CID 62654263) is 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde is CCCc1noc(CN2CCCCC2C=O)n1.
What is the InChIKey of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde?
The InChIKey is SDJWSPFTLXDWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-5-11-13-12(17-14-11)8-15-7-4-3-6-10(15)9-16/h9-10H,2-8H2,1H3.
What are the key properties of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde?
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde has a molecular weight of 237.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 62654263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).