1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde

C11H17N3O2 — CID 86638744

IUPAC1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde
SMILESCC(C)c1noc(N2CCC(C=O)CC2)n1
InChIInChI=1S/C11H17N3O2/c1-8(2)10-12-11(16-13-10)14-5-3-9(7-15)4-6-14/h7-9H,3-6H2,1-2H3
InChIKeyZYWNFJFWSVBMQX-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.61
Rot. Bonds3

About 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde

1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde (PubChem CID 86638744) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde
PubChem CID86638744
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde
SMILESCC(C)c1noc(N2CCC(C=O)CC2)n1
InChIInChI=1S/C11H17N3O2/c1-8(2)10-12-11(16-13-10)14-5-3-9(7-15)4-6-14/h7-9H,3-6H2,1-2H3
InChIKeyZYWNFJFWSVBMQX-UHFFFAOYSA-N
XLogP1.61
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 70856291
3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
CID 67212517
3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine
CID 68571697
5-[4-(1-butan-2-yloxyethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 155573662
5-[4-(2-ethyl-2-methylcyclopropyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 123215414
5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 123479226
cyclohex-3-ene-1-carboxamide;5-piperidin-1-yl-3-propan-2-yl-1,2,4-oxadiazole
CID 160610393
5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 140516723
1-[(3R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]piperidine-3-carboxamide
CID 168832159
5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133480686
3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 141278196
4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzoic acid
CID 59161816

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde (CID 86638744) is 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde is CC(C)c1noc(N2CCC(C=O)CC2)n1.
What is the InChIKey of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde?
The InChIKey is ZYWNFJFWSVBMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)10-12-11(16-13-10)14-5-3-9(7-15)4-6-14/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde?
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde has a molecular weight of 223.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 86638744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).