5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one

C15H24N2O2 — CID 115776440

IUPAC5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one
SMILESCC(C)(C)C1=CCN(C(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-6-8-17(9-7-12)14(19)11-4-5-13(18)16-10-11/h6,11H,4-5,7-10H2,1-3H3,(H,16,18)
InChIKeyUBYGGQHXAVXBPU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.72
Rot. Bonds1

About 5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one

5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one (PubChem CID 115776440) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one
PubChem CID115776440
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one
SMILESCC(C)(C)C1=CCN(C(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-6-8-17(9-7-12)14(19)11-4-5-13(18)16-10-11/h6,11H,4-5,7-10H2,1-3H3,(H,16,18)
InChIKeyUBYGGQHXAVXBPU-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one?
The IUPAC name of 5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one (CID 115776440) is 5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one is CC(C)(C)C1=CCN(C(=O)C2CCC(=O)NC2)CC1.
What is the InChIKey of 5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one?
The InChIKey is UBYGGQHXAVXBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)12-6-8-17(9-7-12)14(19)11-4-5-13(18)16-10-11/h6,11H,4-5,7-10H2,1-3H3,(H,16,18).
What are the key properties of 5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one?
5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 115776440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).