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

C16H24N2O2 — CID 22973372

IUPAC3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one
SMILESCC(=O)Cn1cccc(CCC2CCN(C)CC2)c1=O
InChIInChI=1S/C16H24N2O2/c1-13(19)12-18-9-3-4-15(16(18)20)6-5-14-7-10-17(2)11-8-14/h3-4,9,14H,5-8,10-12H2,1-2H3
InChIKeyGDCHRXMOTZYGJZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.71
Rot. Bonds5

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

3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one (PubChem CID 22973372) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one
PubChem CID22973372
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one
SMILESCC(=O)Cn1cccc(CCC2CCN(C)CC2)c1=O
InChIInChI=1S/C16H24N2O2/c1-13(19)12-18-9-3-4-15(16(18)20)6-5-14-7-10-17(2)11-8-14/h3-4,9,14H,5-8,10-12H2,1-2H3
InChIKeyGDCHRXMOTZYGJZ-UHFFFAOYSA-N
XLogP1.71
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-Ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one
CID 178099278
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one
CID 153352728
3-(1-Fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one
CID 156728469
2-[3-[2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid
CID 19380925
tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate
CID 19380941
2-[3-[2-(1-Methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid
CID 22973373
3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one
CID 22973382
Tert-butyl 4-[2-(1-acetyloxy-2-oxo-3-pyridinyl)ethyl]piperidine-1-carboxylate
CID 57211018
1-methyl-3-(4-oxo-cyclohexyl)-1H-pyridin-2-one
CID 66750433
5-(4-Oxocyclohexyl)-1-propylpyridin-2-one
CID 90856102
5-(1-Acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one
CID 122689034
3-[4-(2-Oxo-3-propan-2-yl-1-pyridinyl)pentyl]-1-propan-2-ylpyridin-2-one
CID 132076823

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one?
The IUPAC name of 3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one (CID 22973372) is 3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one.
What is the SMILES notation for 3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one?
The canonical SMILES for 3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one is CC(=O)Cn1cccc(CCC2CCN(C)CC2)c1=O.
What is the InChIKey of 3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one?
The InChIKey is GDCHRXMOTZYGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(19)12-18-9-3-4-15(16(18)20)6-5-14-7-10-17(2)11-8-14/h3-4,9,14H,5-8,10-12H2,1-2H3.
What are the key properties of 3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one?
3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one is sourced from PubChem (CID 22973372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).