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

C14H26N2O2 — CID 131899023

IUPAC2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)CN2CCCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-18-13-6-10-16(11-7-13)14(17)12-15-8-4-2-3-5-9-15/h13H,2-12H2,1H3
InChIKeyDUONVOWHAMVDCL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.50
Rot. Bonds3

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

2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 131899023) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
PubChem CID131899023
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)CN2CCCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-18-13-6-10-16(11-7-13)14(17)12-15-8-4-2-3-5-9-15/h13H,2-12H2,1H3
InChIKeyDUONVOWHAMVDCL-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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Related Compounds

1-(Azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)ethan-1-one
CID 45794428
1-(Azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 47015941
2-(4-Methoxypiperidin-1-yl)-1-piperidin-1-ylethanone
CID 53524569
2-(4-Methoxypiperidin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 53528437
1-[2-[4-(2-Methylpropoxy)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 71939198
2-(4-methoxypiperidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78898220
(2S)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one
CID 94512898
2-azepan-1-yl-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide
CID 56879289
1-(Azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
CID 71783366
1-(4-Methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 43373174
2-Amino-1-(4-methoxypiperidin-1-yl)ethanone
CID 43373181
[1-[2-(Dimethylamino)acetyl]piperidin-4-yl] acetate
CID 67707547

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone (CID 131899023) is 2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone is COC1CCN(C(=O)CN2CCCCCC2)CC1.
What is the InChIKey of 2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is DUONVOWHAMVDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-13-6-10-16(11-7-13)14(17)12-15-8-4-2-3-5-9-15/h13H,2-12H2,1H3.
What are the key properties of 2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
2-(azepan-1-yl)-1-(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 2-(azepan-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 131899023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).