1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one

C14H20N2O3 — CID 103900189

IUPAC1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
SMILESCC1CCN(C(=O)CCn2ccccc2=O)CC1O
InChIInChI=1S/C14H20N2O3/c1-11-5-8-16(10-12(11)17)14(19)6-9-15-7-3-2-4-13(15)18/h2-4,7,11-12,17H,5-6,8-10H2,1H3
InChIKeyUZLHFKGVEPZQTF-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.47
Rot. Bonds3

About 1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one

1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one (PubChem CID 103900189) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
PubChem CID103900189
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
SMILESCC1CCN(C(=O)CCn2ccccc2=O)CC1O
InChIInChI=1S/C14H20N2O3/c1-11-5-8-16(10-12(11)17)14(19)6-9-15-7-3-2-4-13(15)18/h2-4,7,11-12,17H,5-6,8-10H2,1H3
InChIKeyUZLHFKGVEPZQTF-UHFFFAOYSA-N
XLogP0.47
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one (CID 103900189) is 1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one is CC1CCN(C(=O)CCn2ccccc2=O)CC1O.
What is the InChIKey of 1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The InChIKey is UZLHFKGVEPZQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-5-8-16(10-12(11)17)14(19)6-9-15-7-3-2-4-13(15)18/h2-4,7,11-12,17H,5-6,8-10H2,1H3.
What are the key properties of 1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 103900189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).