1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one

C22H36N4O5S — CID 53118802

IUPAC1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1
InChIInChI=1S/C22H36N4O5S/c1-5-19(6-2)22(28)25-13-11-24(12-14-25)20(27)15-18-7-9-26(10-8-18)32(29,30)21-16(3)23-31-17(21)4/h18-19H,5-15H2,1-4H3
InChIKeyIFTCOCUTXHXDOL-UHFFFAOYSA-N
MW468.62 g/mol
LogP2.19
Rot. Bonds7

About 1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one

1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one (PubChem CID 53118802) has the molecular formula C22H36N4O5S and a molecular weight of 468.62 g/mol. Its IUPAC name is 1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one
PubChem CID53118802
Molecular FormulaC22H36N4O5S
Molecular Weight468.62 g/mol
Exact Mass468.24
IUPAC Name1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1
InChIInChI=1S/C22H36N4O5S/c1-5-19(6-2)22(28)25-13-11-24(12-14-25)20(27)15-18-7-9-26(10-8-18)32(29,30)21-16(3)23-31-17(21)4/h18-19H,5-15H2,1-4H3
InChIKeyIFTCOCUTXHXDOL-UHFFFAOYSA-N
XLogP2.19
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one with MolForge

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Related Compounds

4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide
CID 53118821
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 53118801
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 53118707
N-cyclopentyl-4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazine-1-carboxamide
CID 53118822
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propylacetamide
CID 53118695
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 9151317
2-cyclopent-2-en-1-yl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 17480622
2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone
CID 11912473
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
3-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119694733

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one (CID 53118802) is 1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1CCN(C(=O)CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1.
What is the InChIKey of 1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one?
The InChIKey is IFTCOCUTXHXDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O5S/c1-5-19(6-2)22(28)25-13-11-24(12-14-25)20(27)15-18-7-9-26(10-8-18)32(29,30)21-16(3)23-31-17(21)4/h18-19H,5-15H2,1-4H3.
What are the key properties of 1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one?
1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one has a molecular weight of 468.62 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 53118802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).