1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride

C11H21ClN2O2 — CID 119669536

IUPAC1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride
SMILESCl.O=C(COC1CNC1)N1CCCCCC1
InChIInChI=1S/C11H20N2O2.ClH/c14-11(9-15-10-7-12-8-10)13-5-3-1-2-4-6-13;/h10,12H,1-9H2;1H
InChIKeyLLQDBFVODSWMPZ-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.80
Rot. Bonds3

About 1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride

1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride (PubChem CID 119669536) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride
PubChem CID119669536
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride
SMILESCl.O=C(COC1CNC1)N1CCCCCC1
InChIInChI=1S/C11H20N2O2.ClH/c14-11(9-15-10-7-12-8-10)13-5-3-1-2-4-6-13;/h10,12H,1-9H2;1H
InChIKeyLLQDBFVODSWMPZ-UHFFFAOYSA-N
XLogP0.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
CID 62327566
2-(azetidin-3-yloxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 63107383
2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119791807
2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 119791808
1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone
CID 84816570
2-cyclopentyloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119402733
2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87000800
2-(3-aminocyclopentyl)oxy-1-piperidin-1-ylethanone
CID 79464849
4-[2-(azetidin-3-yloxy)acetyl]piperazin-2-one
CID 119681648
2-(azetidin-3-yloxy)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 119821173
1-(1,4-diazepan-1-yl)-2-(3,5-dimethylcyclohexyl)oxyethanone
CID 64728403
(2-oxo-2-piperidin-1-ylethyl) carbamate
CID 175217966

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride?
The IUPAC name of 1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride (CID 119669536) is 1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride.
What is the SMILES notation for 1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride?
The canonical SMILES for 1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride is Cl.O=C(COC1CNC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride?
The InChIKey is LLQDBFVODSWMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c14-11(9-15-10-7-12-8-10)13-5-3-1-2-4-6-13;/h10,12H,1-9H2;1H.
What are the key properties of 1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride?
1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride is sourced from PubChem (CID 119669536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).