1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one

C17H24N2O4 — CID 71868984

IUPAC1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1CCN(Cc2cc(=O)c(O)co2)CC1
InChIInChI=1S/C17H24N2O4/c20-15-9-14(23-12-16(15)21)11-18-7-4-13(5-8-18)10-19-6-2-1-3-17(19)22/h9,12-13,21H,1-8,10-11H2
InChIKeyWWBSHIGXMMNBJB-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.57
Rot. Bonds4

About 1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one

1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 71868984) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one
PubChem CID71868984
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1CCN(Cc2cc(=O)c(O)co2)CC1
InChIInChI=1S/C17H24N2O4/c20-15-9-14(23-12-16(15)21)11-18-7-4-13(5-8-18)10-19-6-2-1-3-17(19)22/h9,12-13,21H,1-8,10-11H2
InChIKeyWWBSHIGXMMNBJB-UHFFFAOYSA-N
XLogP1.57
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one (CID 71868984) is 1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one is O=C1CCCCN1CC1CCN(Cc2cc(=O)c(O)co2)CC1.
What is the InChIKey of 1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is WWBSHIGXMMNBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c20-15-9-14(23-12-16(15)21)11-18-7-4-13(5-8-18)10-19-6-2-1-3-17(19)22/h9,12-13,21H,1-8,10-11H2.
What are the key properties of 1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 320.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 71868984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).