1-(azepan-3-yl)-2-morpholin-4-ylethanone

C12H22N2O2 — CID 115007024

IUPAC1-(azepan-3-yl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)C1CCCCNC1
InChIInChI=1S/C12H22N2O2/c15-12(10-14-5-7-16-8-6-14)11-3-1-2-4-13-9-11/h11,13H,1-10H2
InChIKeyKXPHQXCXPPPPTH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.28
Rot. Bonds3

About 1-(azepan-3-yl)-2-morpholin-4-ylethanone

1-(azepan-3-yl)-2-morpholin-4-ylethanone (PubChem CID 115007024) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(azepan-3-yl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(azepan-3-yl)-2-morpholin-4-ylethanone
PubChem CID115007024
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(azepan-3-yl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)C1CCCCNC1
InChIInChI=1S/C12H22N2O2/c15-12(10-14-5-7-16-8-6-14)11-3-1-2-4-13-9-11/h11,13H,1-10H2
InChIKeyKXPHQXCXPPPPTH-UHFFFAOYSA-N
XLogP0.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 115007029
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81128684
1-(azepan-4-yl)-2-piperidin-1-ylethanone
CID 115007035
1-(azetidin-3-yl)-2-piperidin-1-ylethanone
CID 115007089
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 110462388
1-(oxolan-3-yl)-2-piperazin-1-ylethanone
CID 104750458
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 119896432
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
CID 130757980
1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119834289
N-(3-morpholin-4-yl-3-oxopropyl)piperidine-3-carboxamide
CID 115597288
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxamide;hydrochloride
CID 119290915

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-3-yl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(azepan-3-yl)-2-morpholin-4-ylethanone (CID 115007024) is 1-(azepan-3-yl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(azepan-3-yl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(azepan-3-yl)-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)C1CCCCNC1.
What is the InChIKey of 1-(azepan-3-yl)-2-morpholin-4-ylethanone?
The InChIKey is KXPHQXCXPPPPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(10-14-5-7-16-8-6-14)11-3-1-2-4-13-9-11/h11,13H,1-10H2.
What are the key properties of 1-(azepan-3-yl)-2-morpholin-4-ylethanone?
1-(azepan-3-yl)-2-morpholin-4-ylethanone has a molecular weight of 226.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-3-yl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 115007024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).