3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole

C11H17N3O2 — CID 145380353

IUPAC3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole
SMILESCOC1CCN(c2nc(C3CC3)no2)CC1
InChIInChI=1S/C11H17N3O2/c1-15-9-4-6-14(7-5-9)11-12-10(13-16-11)8-2-3-8/h8-9H,2-7H2,1H3
InChIKeySHDBBMVYJVIIJL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.56
Rot. Bonds3

About 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole

3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole (PubChem CID 145380353) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole
PubChem CID145380353
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole
SMILESCOC1CCN(c2nc(C3CC3)no2)CC1
InChIInChI=1S/C11H17N3O2/c1-15-9-4-6-14(7-5-9)11-12-10(13-16-11)8-2-3-8/h8-9H,2-7H2,1H3
InChIKeySHDBBMVYJVIIJL-UHFFFAOYSA-N
XLogP1.56
TPSA51.39 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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 71930561
3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384865
2,3,5,6-tetrafluoro-4-(3-methoxypyrrolidin-1-yl)pyridine
CID 103536626
2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine
CID 62869567
4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536578
3-cyclopropyl-5-[4-[(1R,2R)-2-[(4-ethylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 90115692
2-cyclopentyl-4-(4-methoxypiperidin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56912677
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methylpiperidine-1-carboxamide
CID 163339507
1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 75372520
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103467010
3-cyclopentyl-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128989830
N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887423

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole (CID 145380353) is 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole is COC1CCN(c2nc(C3CC3)no2)CC1.
What is the InChIKey of 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole?
The InChIKey is SHDBBMVYJVIIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-15-9-4-6-14(7-5-9)11-12-10(13-16-11)8-2-3-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole has a molecular weight of 223.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 145380353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).