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

C11H16N2O — CID 118303113

IUPAC3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one
SMILESCN1CCC(c2ccc[nH]c2=O)CC1
InChIInChI=1S/C11H16N2O/c1-13-7-4-9(5-8-13)10-3-2-6-12-11(10)14/h2-3,6,9H,4-5,7-8H2,1H3,(H,12,14)
InChIKeyRXQHFQJPWOQQMT-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.18
Rot. Bonds1

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

3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one (PubChem CID 118303113) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one
PubChem CID118303113
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one
SMILESCN1CCC(c2ccc[nH]c2=O)CC1
InChIInChI=1S/C11H16N2O/c1-13-7-4-9(5-8-13)10-3-2-6-12-11(10)14/h2-3,6,9H,4-5,7-8H2,1H3,(H,12,14)
InChIKeyRXQHFQJPWOQQMT-UHFFFAOYSA-N
XLogP1.18
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one (CID 118303113) is 3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one is CN1CCC(c2ccc[nH]c2=O)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one?
The InChIKey is RXQHFQJPWOQQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-7-4-9(5-8-13)10-3-2-6-12-11(10)14/h2-3,6,9H,4-5,7-8H2,1H3,(H,12,14).
What are the key properties of 3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one?
3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 118303113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).