2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide

C19H32N4O5S — CID 91906156

IUPAC2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C19H32N4O5S/c1-14-19(15(2)21(3)20-14)29(25,26)22-9-5-16(6-10-22)23(18(24)13-27-4)17-7-11-28-12-8-17/h16-17H,5-13H2,1-4H3
InChIKeyVQMXBVDOUHPMGR-UHFFFAOYSA-N
MW428.56 g/mol
LogP0.84
Rot. Bonds6

About 2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide

2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 91906156) has the molecular formula C19H32N4O5S and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
PubChem CID91906156
Molecular FormulaC19H32N4O5S
Molecular Weight428.56 g/mol
Exact Mass428.21
IUPAC Name2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C19H32N4O5S/c1-14-19(15(2)21(3)20-14)29(25,26)22-9-5-16(6-10-22)23(18(24)13-27-4)17-7-11-28-12-8-17/h16-17H,5-13H2,1-4H3
InChIKeyVQMXBVDOUHPMGR-UHFFFAOYSA-N
XLogP0.84
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide (CID 91906156) is 2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide is COCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1.
What is the InChIKey of 2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is VQMXBVDOUHPMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O5S/c1-14-19(15(2)21(3)20-14)29(25,26)22-9-5-16(6-10-22)23(18(24)13-27-4)17-7-11-28-12-8-17/h16-17H,5-13H2,1-4H3.
What are the key properties of 2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 428.56 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 91906156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).