5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one

C12H18N2O — CID 22047924

IUPAC5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one
SMILESCC1(C)CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H18N2O/c1-12(2)5-7-14(8-6-12)10-3-4-11(15)13-9-10/h3-4,9H,5-8H2,1-2H3,(H,13,15)
InChIKeyFUYMDJKSFOXAOO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.00
Rot. Bonds1

About 5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one

5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one (PubChem CID 22047924) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one
PubChem CID22047924
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one
SMILESCC1(C)CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H18N2O/c1-12(2)5-7-14(8-6-12)10-3-4-11(15)13-9-10/h3-4,9H,5-8H2,1-2H3,(H,13,15)
InChIKeyFUYMDJKSFOXAOO-UHFFFAOYSA-N
XLogP2.00
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one (CID 22047924) is 5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one is CC1(C)CCN(c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one?
The InChIKey is FUYMDJKSFOXAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2)5-7-14(8-6-12)10-3-4-11(15)13-9-10/h3-4,9H,5-8H2,1-2H3,(H,13,15).
What are the key properties of 5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one?
5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 22047924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).