[4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone

C19H28N4O5S — CID 46962303

IUPAC[4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESCS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C19H28N4O5S/c1-29(25,26)16-12-20-19(23-7-10-27-11-8-23)21-17(16)14-2-5-22(6-3-14)18(24)15-4-9-28-13-15/h12,14-15H,2-11,13H2,1H3
InChIKeyHDSJIPQAAYDGRD-UHFFFAOYSA-N
MW424.52 g/mol
LogP0.46
Rot. Bonds4

About [4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone

[4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 46962303) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is [4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID46962303
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC Name[4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESCS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C19H28N4O5S/c1-29(25,26)16-12-20-19(23-7-10-27-11-8-23)21-17(16)14-2-5-22(6-3-14)18(24)15-4-9-28-13-15/h12,14-15H,2-11,13H2,1H3
InChIKeyHDSJIPQAAYDGRD-UHFFFAOYSA-N
XLogP0.46
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone with MolForge

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Related Compounds

[4-[2-(4-methylpiperidin-1-yl)-5-methylsulfonylpyrimidin-4-yl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 92584278
[(1R)-cyclohex-3-en-1-yl]-[4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 92603266
3-(furan-2-yl)-1-[4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 95798580
[(1R)-cyclohex-3-en-1-yl]-[4-(5-methylsulfonyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 92603264
[(1S)-cyclohex-3-en-1-yl]-[4-[2-(4-methylpiperazin-1-yl)-5-methylsulfonylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 92608707
2-methyl-1-[4-[2-(4-methylpiperazin-1-yl)-5-methylsulfonylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95798529
[4-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95798541
3-(5-methylfuran-2-yl)-1-[4-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 95798552
2-cyclopentyl-1-[4-[2-(4-methylpiperazin-1-yl)-5-methylsulfonylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95798538
(5-methylfuran-2-yl)-[4-[2-(4-methylpiperidin-1-yl)-5-methylsulfonylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 46954272
2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821068
[4-[2-(4-methylpiperidin-1-yl)-5-methylsulfonylpyrimidin-4-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95798605

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone (CID 46962303) is [4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone is CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)C2CCOC2)CC1.
What is the InChIKey of [4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is HDSJIPQAAYDGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-29(25,26)16-12-20-19(23-7-10-27-11-8-23)21-17(16)14-2-5-22(6-3-14)18(24)15-4-9-28-13-15/h12,14-15H,2-11,13H2,1H3.
What are the key properties of [4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone?
[4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 424.52 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 46962303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).