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

C14H20N2O3 — CID 80707274

IUPAC1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
SMILESCC1(O)CCN(C(=O)CCn2ccccc2=O)CC1
InChIInChI=1S/C14H20N2O3/c1-14(19)6-10-16(11-7-14)13(18)5-9-15-8-3-2-4-12(15)17/h2-4,8,19H,5-7,9-11H2,1H3
InChIKeyOJLVQRCLITWGDE-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.61
Rot. Bonds3

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

1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one (PubChem CID 80707274) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
PubChem CID80707274
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
SMILESCC1(O)CCN(C(=O)CCn2ccccc2=O)CC1
InChIInChI=1S/C14H20N2O3/c1-14(19)6-10-16(11-7-14)13(18)5-9-15-8-3-2-4-12(15)17/h2-4,8,19H,5-7,9-11H2,1H3
InChIKeyOJLVQRCLITWGDE-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one (CID 80707274) is 1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one is CC1(O)CCN(C(=O)CCn2ccccc2=O)CC1.
What is the InChIKey of 1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The InChIKey is OJLVQRCLITWGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(19)6-10-16(11-7-14)13(18)5-9-15-8-3-2-4-12(15)17/h2-4,8,19H,5-7,9-11H2,1H3.
What are the key properties of 1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 80707274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).