2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone

C11H20N2O2 — CID 64609795

IUPAC2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
SMILESCC1CN(C(=O)CC2CNC2)CCCO1
InChIInChI=1S/C11H20N2O2/c1-9-8-13(3-2-4-15-9)11(14)5-10-6-12-7-10/h9-10,12H,2-8H2,1H3
InChIKeyAHGOFBDPNNLTBZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds2

About 2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone

2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone (PubChem CID 64609795) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
PubChem CID64609795
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
SMILESCC1CN(C(=O)CC2CNC2)CCCO1
InChIInChI=1S/C11H20N2O2/c1-9-8-13(3-2-4-15-9)11(14)5-10-6-12-7-10/h9-10,12H,2-8H2,1H3
InChIKeyAHGOFBDPNNLTBZ-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119771962
1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone
CID 62972970
1-(2-methyl-1,4-oxazepan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119771971
2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
CID 64611824
2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 64679754
3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62973098
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 64616768
1-(2-methyl-1,4-oxazepan-4-yl)-2-piperazin-1-ylethane-1,2-dione
CID 55141735
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061
5-chloro-1-(2-methyl-1,4-oxazepan-4-yl)pentan-1-one
CID 62986786
3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62968735
N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone (CID 64609795) is 2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone is CC1CN(C(=O)CC2CNC2)CCCO1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone?
The InChIKey is AHGOFBDPNNLTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-8-13(3-2-4-15-9)11(14)5-10-6-12-7-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone?
2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone has a molecular weight of 212.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone is sourced from PubChem (CID 64609795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).