[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C17H27N3O4S — CID 3240280

IUPAC[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C17H27N3O4S/c1-12-4-8-19(9-5-12)17(21)15-6-10-20(11-7-15)25(22,23)16-13(2)18-24-14(16)3/h12,15H,4-11H2,1-3H3
InChIKeyXUISXTWAFKQGFD-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.95
Rot. Bonds3

About [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 3240280) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID3240280
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C17H27N3O4S/c1-12-4-8-19(9-5-12)17(21)15-6-10-20(11-7-15)25(22,23)16-13(2)18-24-14(16)3/h12,15H,4-11H2,1-3H3
InChIKeyXUISXTWAFKQGFD-UHFFFAOYSA-N
XLogP1.95
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 3240280) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XUISXTWAFKQGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12-4-8-19(9-5-12)17(21)15-6-10-20(11-7-15)25(22,23)16-13(2)18-24-14(16)3/h12,15H,4-11H2,1-3H3.
What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 369.49 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3240280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).