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

C21H27FN4O4S — CID 3245224

IUPAC[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C21H27FN4O4S/c1-15-20(16(2)30-23-15)31(28,29)26-9-7-17(8-10-26)21(27)25-13-11-24(12-14-25)19-5-3-18(22)4-6-19/h3-6,17H,7-14H2,1-2H3
InChIKeyOLPKAORPEYUDSU-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.18
Rot. Bonds4

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

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 3245224) 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-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID3245224
Molecular FormulaC21H27FN4O4S
Molecular Weight450.54 g/mol
Exact Mass450.17
IUPAC Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C21H27FN4O4S/c1-15-20(16(2)30-23-15)31(28,29)26-9-7-17(8-10-26)21(27)25-13-11-24(12-14-25)19-5-3-18(22)4-6-19/h3-6,17H,7-14H2,1-2H3
InChIKeyOLPKAORPEYUDSU-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

N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
CID 3609627
1-(2-Chlorophenyl)-4-({1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidin-4-yl}carbonyl)piperazine
CID 3236160
1-(4-Chlorophenyl)-4-({1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidin-4-yl}carbonyl)piperazine
CID 3240304
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 7436932
1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-N-(3,4-dimethylphenyl)-4-piperidinecarboxamide
CID 7436939
1-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 15990538
ethyl 4-[N-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-methylphenyl)glycyl]piperazine-1-carboxylate
CID 3235694
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 3242506
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,5-dimethylisoxazole-4-sulfonamide
CID 3245642
1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-4-phenylpiperazine
CID 3368289
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(2,5-dimethylphenyl)piperazine
CID 3579716
3,5-Dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 3747730

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 3245224) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-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-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is OLPKAORPEYUDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O4S/c1-15-20(16(2)30-23-15)31(28,29)26-9-7-17(8-10-26)21(27)25-13-11-24(12-14-25)19-5-3-18(22)4-6-19/h3-6,17H,7-14H2,1-2H3.
What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-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-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3245224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).