1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone

C14H26N2O2 — CID 47015941

IUPAC1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-18-13-6-10-15(11-7-13)12-14(17)16-8-4-2-3-5-9-16/h13H,2-12H2,1H3
InChIKeyNGAUTQVCYQTGLS-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.50
Rot. Bonds3

About 1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone

1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 47015941) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
PubChem CID47015941
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-18-13-6-10-15(11-7-13)12-14(17)16-8-4-2-3-5-9-16/h13H,2-12H2,1H3
InChIKeyNGAUTQVCYQTGLS-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone (CID 47015941) is 1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone is COC1CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is NGAUTQVCYQTGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-13-6-10-15(11-7-13)12-14(17)16-8-4-2-3-5-9-16/h13H,2-12H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone?
1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 47015941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).