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

C13H20N2O — CID 22973382

IUPAC3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one
SMILESCN1CCC(CCc2ccc[nH]c2=O)CC1
InChIInChI=1S/C13H20N2O/c1-15-9-6-11(7-10-15)4-5-12-3-2-8-14-13(12)16/h2-3,8,11H,4-7,9-10H2,1H3,(H,14,16)
InChIKeyIQJVXVXCQDAWHD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.65
Rot. Bonds3

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

3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one (PubChem CID 22973382) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one
PubChem CID22973382
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one
SMILESCN1CCC(CCc2ccc[nH]c2=O)CC1
InChIInChI=1S/C13H20N2O/c1-15-9-6-11(7-10-15)4-5-12-3-2-8-14-13(12)16/h2-3,8,11H,4-7,9-10H2,1H3,(H,14,16)
InChIKeyIQJVXVXCQDAWHD-UHFFFAOYSA-N
XLogP1.65
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one (CID 22973382) is 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one is CN1CCC(CCc2ccc[nH]c2=O)CC1.
What is the InChIKey of 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one?
The InChIKey is IQJVXVXCQDAWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-9-6-11(7-10-15)4-5-12-3-2-8-14-13(12)16/h2-3,8,11H,4-7,9-10H2,1H3,(H,14,16).
What are the key properties of 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one?
3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 22973382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).