1-(1-tert-butylpiperidin-3-yl)pyridin-2-one

C14H22N2O — CID 59009455

IUPAC1-(1-tert-butylpiperidin-3-yl)pyridin-2-one
SMILESCC(C)(C)N1CCCC(n2ccccc2=O)C1
InChIInChI=1S/C14H22N2O/c1-14(2,3)15-9-6-7-12(11-15)16-10-5-4-8-13(16)17/h4-5,8,10,12H,6-7,9,11H2,1-3H3
InChIKeyYKCZEZHRGLDLSP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.28
Rot. Bonds1

About 1-(1-tert-butylpiperidin-3-yl)pyridin-2-one

1-(1-tert-butylpiperidin-3-yl)pyridin-2-one (PubChem CID 59009455) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-3-yl)pyridin-2-one
PubChem CID59009455
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(1-tert-butylpiperidin-3-yl)pyridin-2-one
SMILESCC(C)(C)N1CCCC(n2ccccc2=O)C1
InChIInChI=1S/C14H22N2O/c1-14(2,3)15-9-6-7-12(11-15)16-10-5-4-8-13(16)17/h4-5,8,10,12H,6-7,9,11H2,1-3H3
InChIKeyYKCZEZHRGLDLSP-UHFFFAOYSA-N
XLogP2.28
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-3-yl)pyridin-2-one?
The IUPAC name of 1-(1-tert-butylpiperidin-3-yl)pyridin-2-one (CID 59009455) is 1-(1-tert-butylpiperidin-3-yl)pyridin-2-one.
What is the SMILES notation for 1-(1-tert-butylpiperidin-3-yl)pyridin-2-one?
The canonical SMILES for 1-(1-tert-butylpiperidin-3-yl)pyridin-2-one is CC(C)(C)N1CCCC(n2ccccc2=O)C1.
What is the InChIKey of 1-(1-tert-butylpiperidin-3-yl)pyridin-2-one?
The InChIKey is YKCZEZHRGLDLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)15-9-6-7-12(11-15)16-10-5-4-8-13(16)17/h4-5,8,10,12H,6-7,9,11H2,1-3H3.
What are the key properties of 1-(1-tert-butylpiperidin-3-yl)pyridin-2-one?
1-(1-tert-butylpiperidin-3-yl)pyridin-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-3-yl)pyridin-2-one is sourced from PubChem (CID 59009455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).