1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone

C22H28N4O5S — CID 55972850

IUPAC1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)on1
InChIInChI=1S/C22H28N4O5S/c1-17-15-20(31-23-17)22(28)25-13-11-24(12-14-25)21(27)16-18-5-7-19(8-6-18)32(29,30)26-9-3-2-4-10-26/h5-8,15H,2-4,9-14,16H2,1H3
InChIKeyKNVFUKOILUUQOA-UHFFFAOYSA-N
MW460.56 g/mol
LogP1.68
Rot. Bonds5

About 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone

1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone (PubChem CID 55972850) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
PubChem CID55972850
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC Name1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)on1
InChIInChI=1S/C22H28N4O5S/c1-17-15-20(31-23-17)22(28)25-13-11-24(12-14-25)21(27)16-18-5-7-19(8-6-18)32(29,30)26-9-3-2-4-10-26/h5-8,15H,2-4,9-14,16H2,1H3
InChIKeyKNVFUKOILUUQOA-UHFFFAOYSA-N
XLogP1.68
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone with MolForge

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Related Compounds

1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 55867380
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 27757740
(3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 43060282
[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 55971697
2-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 55469023
2-(1-aminocyclobutyl)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 91645490
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110714939
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 9326847
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365789
ethyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazine-1-carboxylate
CID 55345023
ethyl 4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]piperazine-1-carboxylate
CID 17458579
2-(4-chlorophenyl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 27733634

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone (CID 55972850) is 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone is Cc1cc(C(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)on1.
What is the InChIKey of 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is KNVFUKOILUUQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-17-15-20(31-23-17)22(28)25-13-11-24(12-14-25)21(27)16-18-5-7-19(8-6-18)32(29,30)26-9-3-2-4-10-26/h5-8,15H,2-4,9-14,16H2,1H3.
What are the key properties of 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone?
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 460.56 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 55972850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).