(5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone

C14H22N4O4S — CID 138021028

IUPAC(5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)no1
InChIInChI=1S/C14H22N4O4S/c1-11-15-13(16-22-11)14(19)17-9-5-12(6-10-17)23(20,21)18-7-3-2-4-8-18/h12H,2-10H2,1H3
InChIKeyMGSQUGFNFBMYIS-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.80
Rot. Bonds3

About (5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone

(5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone (PubChem CID 138021028) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is (5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
PubChem CID138021028
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name(5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)no1
InChIInChI=1S/C14H22N4O4S/c1-11-15-13(16-22-11)14(19)17-9-5-12(6-10-17)23(20,21)18-7-3-2-4-8-18/h12H,2-10H2,1H3
InChIKeyMGSQUGFNFBMYIS-UHFFFAOYSA-N
XLogP0.80
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024608
(2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024621
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 102679809
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 139019899
[2-(1-aminoethyl)morpholin-4-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 113284993
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
tert-butyl 4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxylate
CID 59560785
methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate
CID 113330663
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 146144552
bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine
CID 124885316

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone (CID 138021028) is (5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for (5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone is Cc1nc(C(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)no1.
What is the InChIKey of (5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone?
The InChIKey is MGSQUGFNFBMYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-11-15-13(16-22-11)14(19)17-9-5-12(6-10-17)23(20,21)18-7-3-2-4-8-18/h12H,2-10H2,1H3.
What are the key properties of (5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone?
(5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 138021028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).