1-(azepan-1-yl)-2-morpholin-2-ylethanone

C12H22N2O2 — CID 66433560

IUPAC1-(azepan-1-yl)-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCCCCC1
InChIInChI=1S/C12H22N2O2/c15-12(9-11-10-13-5-8-16-11)14-6-3-1-2-4-7-14/h11,13H,1-10H2
InChIKeyUUXYJYQBLBHNKV-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds2

About 1-(azepan-1-yl)-2-morpholin-2-ylethanone

1-(azepan-1-yl)-2-morpholin-2-ylethanone (PubChem CID 66433560) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-morpholin-2-ylethanone
PubChem CID66433560
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(azepan-1-yl)-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCCCCC1
InChIInChI=1S/C12H22N2O2/c15-12(9-11-10-13-5-8-16-11)14-6-3-1-2-4-7-14/h11,13H,1-10H2
InChIKeyUUXYJYQBLBHNKV-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-2-yl-1-thiomorpholin-4-ylethanone
CID 66434733
1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone
CID 107404309
2-morpholin-2-yl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113266087
methyl 1-(2-morpholin-2-ylacetyl)piperidine-4-carboxylate
CID 66433180
N-methyl-1-(2-morpholin-2-ylacetyl)piperidine-4-carboxamide
CID 66433581
1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119771962
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 107217362
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119788325
2-(morpholin-2-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 114468321
1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119696186
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-morpholin-2-ylethanone
CID 66428289
1-(2-ethylmorpholin-4-yl)-2-morpholin-2-ylethanone
CID 66432993

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(azepan-1-yl)-2-morpholin-2-ylethanone (CID 66433560) is 1-(azepan-1-yl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-morpholin-2-ylethanone is O=C(CC1CNCCO1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-morpholin-2-ylethanone?
The InChIKey is UUXYJYQBLBHNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(9-11-10-13-5-8-16-11)14-6-3-1-2-4-7-14/h11,13H,1-10H2.
What are the key properties of 1-(azepan-1-yl)-2-morpholin-2-ylethanone?
1-(azepan-1-yl)-2-morpholin-2-ylethanone has a molecular weight of 226.32 g/mol, XLogP of 0.77, 2 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-morpholin-2-ylethanone is sourced from PubChem (CID 66433560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).