2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone

C15H28N2O3 — CID 114338646

IUPAC2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone
SMILESCC(O)CC1CCCCCN1CC(=O)N1CCOCC1
InChIInChI=1S/C15H28N2O3/c1-13(18)11-14-5-3-2-4-6-17(14)12-15(19)16-7-9-20-10-8-16/h13-14,18H,2-12H2,1H3
InChIKeyLZAPHCBPJKPIPW-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.86
Rot. Bonds4

About 2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone

2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone (PubChem CID 114338646) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone
PubChem CID114338646
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone
SMILESCC(O)CC1CCCCCN1CC(=O)N1CCOCC1
InChIInChI=1S/C15H28N2O3/c1-13(18)11-14-5-3-2-4-6-17(14)12-15(19)16-7-9-20-10-8-16/h13-14,18H,2-12H2,1H3
InChIKeyLZAPHCBPJKPIPW-UHFFFAOYSA-N
XLogP0.86
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 94251916
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-2-carbaldehyde
CID 55100024
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 63848204
2-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 63854337
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 114338856
ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate
CID 114338113
(2R)-2-[4-[2-[(2S)-2-[(2S)-2-hydroxypropyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-methylbutanenitrile
CID 100903636
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone
CID 124864293
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63854605
3-[2-(1-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111107028
1-morpholin-4-yl-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 124844881

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone (CID 114338646) is 2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone is CC(O)CC1CCCCCN1CC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is LZAPHCBPJKPIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-13(18)11-14-5-3-2-4-6-17(14)12-15(19)16-7-9-20-10-8-16/h13-14,18H,2-12H2,1H3.
What are the key properties of 2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone?
2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 284.40 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 114338646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).