2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone

C17H28N4O4S — CID 8890923

IUPAC2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCC(C)CC2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H28N4O4S/c1-13-4-6-19(7-5-13)16(22)12-21-15(3)17(14(2)18-21)26(23,24)20-8-10-25-11-9-20/h13H,4-12H2,1-3H3
InChIKeyPHJMQHCKKMSIOT-UHFFFAOYSA-N
MW384.50 g/mol
LogP0.78
Rot. Bonds4

About 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 8890923) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID8890923
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCC(C)CC2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H28N4O4S/c1-13-4-6-19(7-5-13)16(22)12-21-15(3)17(14(2)18-21)26(23,24)20-8-10-25-11-9-20/h13H,4-12H2,1-3H3
InChIKeyPHJMQHCKKMSIOT-UHFFFAOYSA-N
XLogP0.78
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone (CID 8890923) is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone is Cc1nn(CC(=O)N2CCC(C)CC2)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is PHJMQHCKKMSIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-13-4-6-19(7-5-13)16(22)12-21-15(3)17(14(2)18-21)26(23,24)20-8-10-25-11-9-20/h13H,4-12H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 384.50 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 8890923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).