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

C21H27FN4O4S — CID 20855591

IUPAC[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H27FN4O4S/c1-15-20(16(2)30-23-15)31(28,29)26-9-3-4-17(14-26)21(27)25-12-10-24(11-13-25)19-7-5-18(22)6-8-19/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyHSSDAGMNSGGMHS-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.18
Rot. Bonds4

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

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 20855591) has the molecular formula C21H27FN4O4S and a molecular weight of 450.54 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID20855591
Molecular FormulaC21H27FN4O4S
Molecular Weight450.54 g/mol
Exact Mass450.17
IUPAC Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H27FN4O4S/c1-15-20(16(2)30-23-15)31(28,29)26-9-3-4-17(14-26)21(27)25-12-10-24(11-13-25)19-7-5-18(22)6-8-19/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyHSSDAGMNSGGMHS-UHFFFAOYSA-N
XLogP2.18
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
CID 55566653
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 119402643
[4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
CID 55685462
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanone
CID 3240304
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20855589
(2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
CID 55451559
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 126892897
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491783
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-fluoro-2-methylphenyl)piperidine-3-carboxamide
CID 24531918
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 20855591) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is HSSDAGMNSGGMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O4S/c1-15-20(16(2)30-23-15)31(28,29)26-9-3-4-17(14-26)21(27)25-12-10-24(11-13-25)19-7-5-18(22)6-8-19/h5-8,17H,3-4,9-14H2,1-2H3.
What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 450.54 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 20855591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).