1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

C16H24N2O3 — CID 71939202

IUPAC1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCC(C)COC1CCN(C(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C16H24N2O3/c1-13(2)12-21-14-6-9-17(10-7-14)16(20)11-18-8-4-3-5-15(18)19/h3-5,8,13-14H,6-7,9-12H2,1-2H3
InChIKeyJGIJDBACDQNVTE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.51
Rot. Bonds5

About 1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 71939202) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID71939202
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCC(C)COC1CCN(C(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C16H24N2O3/c1-13(2)12-21-14-6-9-17(10-7-14)16(20)11-18-8-4-3-5-15(18)19/h3-5,8,13-14H,6-7,9-12H2,1-2H3
InChIKeyJGIJDBACDQNVTE-UHFFFAOYSA-N
XLogP1.51
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 71939202) is 1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is CC(C)COC1CCN(C(=O)Cn2ccccc2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is JGIJDBACDQNVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(2)12-21-14-6-9-17(10-7-14)16(20)11-18-8-4-3-5-15(18)19/h3-5,8,13-14H,6-7,9-12H2,1-2H3.
What are the key properties of 1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 71939202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).