4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine

C15H21N5O3S — CID 122161105

IUPAC4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCCC(Oc3ccncn3)C2)c1
InChIInChI=1S/C15H21N5O3S/c1-12(2)19-9-15(18-11-19)24(21,22)20-7-3-4-13(8-20)23-14-5-6-16-10-17-14/h5-6,9-13H,3-4,7-8H2,1-2H3
InChIKeyRFSSEOLNNBRQPA-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.49
Rot. Bonds5

About 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine

4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 122161105) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID122161105
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCCC(Oc3ccncn3)C2)c1
InChIInChI=1S/C15H21N5O3S/c1-12(2)19-9-15(18-11-19)24(21,22)20-7-3-4-13(8-20)23-14-5-6-16-10-17-14/h5-6,9-13H,3-4,7-8H2,1-2H3
InChIKeyRFSSEOLNNBRQPA-UHFFFAOYSA-N
XLogP1.49
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 124590329
4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260059
5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100778
3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100625200
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 122267888
4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260064
2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129329420
4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260060
1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 109379638
4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260073
4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260123
3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine
CID 100640808

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 122161105) is 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine is CC(C)n1cnc(S(=O)(=O)N2CCCC(Oc3ccncn3)C2)c1.
What is the InChIKey of 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is RFSSEOLNNBRQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-12(2)19-9-15(18-11-19)24(21,22)20-7-3-4-13(8-20)23-14-5-6-16-10-17-14/h5-6,9-13H,3-4,7-8H2,1-2H3.
What are the key properties of 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine?
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 351.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122161105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).