3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one

C14H20N2O3 — CID 82064555

IUPAC3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCC(=O)N1CCCCCC1
InChIInChI=1S/C14H20N2O3/c1-11-14(12(17)6-7-15-11)19-10-13(18)16-8-4-2-3-5-9-16/h6-7H,2-5,8-10H2,1H3,(H,15,17)
InChIKeyVEVFBJDLUGHGPB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.46
Rot. Bonds3

About 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one

3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one (PubChem CID 82064555) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one
PubChem CID82064555
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCC(=O)N1CCCCCC1
InChIInChI=1S/C14H20N2O3/c1-11-14(12(17)6-7-15-11)19-10-13(18)16-8-4-2-3-5-9-16/h6-7H,2-5,8-10H2,1H3,(H,15,17)
InChIKeyVEVFBJDLUGHGPB-UHFFFAOYSA-N
XLogP1.46
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-(2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamido)acetate
CID 27646392
2-((1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy)-N-isopentylacetamide
CID 71709654
5-[2-(azepan-1-yl)-2-oxoethoxy]-2-(hydroxymethyl)-1H-pyridin-4-one
CID 82063854
N-cyclohexyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064550
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
CID 82064552
N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064557
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N,N-dipropylacetamide
CID 82064559
N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064561
N-(2-methoxyethyl)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064563
N-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064565
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide
CID 82064567
N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064569

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one (CID 82064555) is 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCC(=O)N1CCCCCC1.
What is the InChIKey of 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one?
The InChIKey is VEVFBJDLUGHGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-14(12(17)6-7-15-11)19-10-13(18)16-8-4-2-3-5-9-16/h6-7H,2-5,8-10H2,1H3,(H,15,17).
What are the key properties of 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one?
3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one has a molecular weight of 264.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 82064555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).