2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one

C15H22N2O4 — CID 82063849

IUPAC2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one
SMILESCC1CCN(C(=O)CCOc2c[nH]c(CO)cc2=O)CC1
InChIInChI=1S/C15H22N2O4/c1-11-2-5-17(6-3-11)15(20)4-7-21-14-9-16-12(10-18)8-13(14)19/h8-9,11,18H,2-7,10H2,1H3,(H,16,19)
InChIKeyQWUBUFYTONISPB-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.89
Rot. Bonds5

About 2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one

2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one (PubChem CID 82063849) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one
PubChem CID82063849
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one
SMILESCC1CCN(C(=O)CCOc2c[nH]c(CO)cc2=O)CC1
InChIInChI=1S/C15H22N2O4/c1-11-2-5-17(6-3-11)15(20)4-7-21-14-9-16-12(10-18)8-13(14)19/h8-9,11,18H,2-7,10H2,1H3,(H,16,19)
InChIKeyQWUBUFYTONISPB-UHFFFAOYSA-N
XLogP0.89
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one (CID 82063849) is 2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one is CC1CCN(C(=O)CCOc2c[nH]c(CO)cc2=O)CC1.
What is the InChIKey of 2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one?
The InChIKey is QWUBUFYTONISPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-2-5-17(6-3-11)15(20)4-7-21-14-9-16-12(10-18)8-13(14)19/h8-9,11,18H,2-7,10H2,1H3,(H,16,19).
What are the key properties of 2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one?
2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one has a molecular weight of 294.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one is sourced from PubChem (CID 82063849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).