3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one

C17H25N3O4 — CID 53370772

IUPAC3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCN(CC(=O)N3CCCC3)CC2)o1
InChIInChI=1S/C17H25N3O4/c1-13-10-14(21)17(23)15(24-13)11-18-6-8-19(9-7-18)12-16(22)20-4-2-3-5-20/h10,23H,2-9,11-12H2,1H3
InChIKeyLJLGVKFTTUPJNR-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.39
Rot. Bonds4

About 3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one

3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one (PubChem CID 53370772) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one
PubChem CID53370772
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCN(CC(=O)N3CCCC3)CC2)o1
InChIInChI=1S/C17H25N3O4/c1-13-10-14(21)17(23)15(24-13)11-18-6-8-19(9-7-18)12-16(22)20-4-2-3-5-20/h10,23H,2-9,11-12H2,1H3
InChIKeyLJLGVKFTTUPJNR-UHFFFAOYSA-N
XLogP0.39
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one with MolForge

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Related Compounds

2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
CID 71591058
3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one
CID 71591033
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 71942307
2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
CID 71704296
6-ethyl-7-hydroxy-4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one
CID 86977980
7-methyl-4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one
CID 34725525
1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 55432083
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
3-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-(hydroxymethyl)pyran-4-one
CID 1279756
3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one
CID 91823693

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one (CID 53370772) is 3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one is Cc1cc(=O)c(O)c(CN2CCN(CC(=O)N3CCCC3)CC2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one?
The InChIKey is LJLGVKFTTUPJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-13-10-14(21)17(23)15(24-13)11-18-6-8-19(9-7-18)12-16(22)20-4-2-3-5-20/h10,23H,2-9,11-12H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one?
3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one has a molecular weight of 335.40 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 53370772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).