5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one

C14H20N2O6S — CID 127254562

IUPAC5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one
SMILESCOc1coc(C(=O)N2CCN(S(=O)(=O)C(C)C)CC2)cc1=O
InChIInChI=1S/C14H20N2O6S/c1-10(2)23(19,20)16-6-4-15(5-7-16)14(18)12-8-11(17)13(21-3)9-22-12/h8-10H,4-7H2,1-3H3
InChIKeyFPGGDDOYTQJOLB-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.14
Rot. Bonds4

About 5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one

5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one (PubChem CID 127254562) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one
PubChem CID127254562
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one
SMILESCOc1coc(C(=O)N2CCN(S(=O)(=O)C(C)C)CC2)cc1=O
InChIInChI=1S/C14H20N2O6S/c1-10(2)23(19,20)16-6-4-15(5-7-16)14(18)12-8-11(17)13(21-3)9-22-12/h8-10H,4-7H2,1-3H3
InChIKeyFPGGDDOYTQJOLB-UHFFFAOYSA-N
XLogP0.14
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyran-4-one
CID 27378207
2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one
CID 42227134
ethyl 4-[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]piperazine-1-carboxylate
CID 42227317
5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one
CID 136544076
(3R)-4-benzyl-3-ethyl-1-(5-methoxy-4-oxopyran-2-carbonyl)-1,4-diazepan-5-one
CID 95550234
4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805042
(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 1148012
5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one
CID 124873677
5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid
CID 104606942
[5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
CID 42789172
4-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methylpiperazine-1-sulfonamide
CID 138993831
1-[4-(2-methoxy-4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817219

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one?
The IUPAC name of 5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one (CID 127254562) is 5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one.
What is the SMILES notation for 5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one?
The canonical SMILES for 5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one is COc1coc(C(=O)N2CCN(S(=O)(=O)C(C)C)CC2)cc1=O.
What is the InChIKey of 5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one?
The InChIKey is FPGGDDOYTQJOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-10(2)23(19,20)16-6-4-15(5-7-16)14(18)12-8-11(17)13(21-3)9-22-12/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one?
5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one has a molecular weight of 344.39 g/mol, XLogP of 0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one is sourced from PubChem (CID 127254562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).