2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone

C14H21N3O4S — CID 51080769

IUPAC2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CS(=O)(=O)Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C14H21N3O4S/c1-10-3-2-6-17(7-10)13(18)9-22(19,20)8-12-15-14(16-21-12)11-4-5-11/h10-11H,2-9H2,1H3
InChIKeyQKZCZCXVNFVRDD-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.12
Rot. Bonds5

About 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 51080769) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID51080769
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CS(=O)(=O)Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C14H21N3O4S/c1-10-3-2-6-17(7-10)13(18)9-22(19,20)8-12-15-14(16-21-12)11-4-5-11/h10-11H,2-9H2,1H3
InChIKeyQKZCZCXVNFVRDD-UHFFFAOYSA-N
XLogP1.12
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 55703652
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94025513
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 71864581
1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 99992838
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 86265900
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
tert-butyl 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90641592
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 119577941
3-cyclopropyl-5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993031
1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 99992695
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 127623329

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone (CID 51080769) is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CS(=O)(=O)Cc2nc(C3CC3)no2)C1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is QKZCZCXVNFVRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10-3-2-6-17(7-10)13(18)9-22(19,20)8-12-15-14(16-21-12)11-4-5-11/h10-11H,2-9H2,1H3.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone?
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 327.41 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 51080769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).