6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one

C12H16N2O2 — CID 86660750

IUPAC6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one
SMILESCC1(Cc2cccc(=O)[nH]2)CCCNC1=O
InChIInChI=1S/C12H16N2O2/c1-12(6-3-7-13-11(12)16)8-9-4-2-5-10(15)14-9/h2,4-5H,3,6-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyOYRDGYAJNJKDOU-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.83
Rot. Bonds2

About 6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one

6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one (PubChem CID 86660750) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one
PubChem CID86660750
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one
SMILESCC1(Cc2cccc(=O)[nH]2)CCCNC1=O
InChIInChI=1S/C12H16N2O2/c1-12(6-3-7-13-11(12)16)8-9-4-2-5-10(15)14-9/h2,4-5H,3,6-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyOYRDGYAJNJKDOU-UHFFFAOYSA-N
XLogP0.83
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one (CID 86660750) is 6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one is CC1(Cc2cccc(=O)[nH]2)CCCNC1=O.
What is the InChIKey of 6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one?
The InChIKey is OYRDGYAJNJKDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(6-3-7-13-11(12)16)8-9-4-2-5-10(15)14-9/h2,4-5H,3,6-8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one?
6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-2-oxopiperidin-3-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 86660750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).