1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone

C15H26N2O2 — CID 102656650

IUPAC1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1(OCC(=O)N2CC=C(C(C)(C)C)CC2)CNC1
InChIInChI=1S/C15H26N2O2/c1-14(2,3)12-5-7-17(8-6-12)13(18)9-19-15(4)10-16-11-15/h5,16H,6-11H2,1-4H3
InChIKeyJSQQJKHUOHPFDM-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.57
Rot. Bonds3

About 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone

1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone (PubChem CID 102656650) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
PubChem CID102656650
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1(OCC(=O)N2CC=C(C(C)(C)C)CC2)CNC1
InChIInChI=1S/C15H26N2O2/c1-14(2,3)12-5-7-17(8-6-12)13(18)9-19-15(4)10-16-11-15/h5,16H,6-11H2,1-4H3
InChIKeyJSQQJKHUOHPFDM-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylazetidin-3-yl)oxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 102656652
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-ethoxyethanone
CID 70639905
1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102656644
2-(3-methylazetidin-3-yl)oxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 102656645
2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 106313835
2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486714
2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107487203
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone
CID 113340791
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone
CID 113588342
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 113721181
N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 113721218
4-tert-butyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 113721381

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The IUPAC name of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone (CID 102656650) is 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone.
What is the SMILES notation for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The canonical SMILES for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone is CC1(OCC(=O)N2CC=C(C(C)(C)C)CC2)CNC1.
What is the InChIKey of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The InChIKey is JSQQJKHUOHPFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-14(2,3)12-5-7-17(8-6-12)13(18)9-19-15(4)10-16-11-15/h5,16H,6-11H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone has a molecular weight of 266.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone is sourced from PubChem (CID 102656650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).