(2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C15H15ClFN3O4S — CID 9189272

IUPAC(2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1nnc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)o1
InChIInChI=1S/C15H15ClFN3O4S/c1-25(22,23)15-19-18-13(24-15)9-5-7-20(8-6-9)14(21)12-10(16)3-2-4-11(12)17/h2-4,9H,5-8H2,1H3
InChIKeyOYUUBKCNZKBNTF-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.29
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 9189272) has the molecular formula C15H15ClFN3O4S and a molecular weight of 387.82 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID9189272
Molecular FormulaC15H15ClFN3O4S
Molecular Weight387.82 g/mol
Exact Mass387.05
IUPAC Name(2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1nnc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)o1
InChIInChI=1S/C15H15ClFN3O4S/c1-25(22,23)15-19-18-13(24-15)9-5-7-20(8-6-9)14(21)12-10(16)3-2-4-11(12)17/h2-4,9H,5-8H2,1H3
InChIKeyOYUUBKCNZKBNTF-UHFFFAOYSA-N
XLogP2.29
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 51144937
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole
CID 9189176
(2-chloro-6-fluorophenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289794
(2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591730
[3-(bromomethyl)pyrrolidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80667434
(2-chloro-6-fluorophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110738791
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
(2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114608
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110821572
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108567332
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 9189272) is (2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is CS(=O)(=O)c1nnc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)o1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is OYUUBKCNZKBNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O4S/c1-25(22,23)15-19-18-13(24-15)9-5-7-20(8-6-9)14(21)12-10(16)3-2-4-11(12)17/h2-4,9H,5-8H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 387.82 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 9189272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).