1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone

C13H24N2O3 — CID 79833113

IUPAC1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCOC(CO)C1)N1CCCCCC1
InChIInChI=1S/C13H24N2O3/c16-11-12-9-14(7-8-18-12)10-13(17)15-5-3-1-2-4-6-15/h12,16H,1-11H2
InChIKeyIGEOFFYFVXOQIR-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.08
Rot. Bonds3

About 1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone

1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone (PubChem CID 79833113) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
PubChem CID79833113
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCOC(CO)C1)N1CCCCCC1
InChIInChI=1S/C13H24N2O3/c16-11-12-9-14(7-8-18-12)10-13(17)15-5-3-1-2-4-6-15/h12,16H,1-11H2
InChIKeyIGEOFFYFVXOQIR-UHFFFAOYSA-N
XLogP0.08
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 79840662
1-(azetidin-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79832857
1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone
CID 114395313
N,N-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-2-carboxamide
CID 131925823
2-[2-(2-methoxyethyl)morpholin-4-yl]-1-piperazin-1-ylethanone
CID 131914885
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235
N-cyclopropyl-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
CID 79833048
tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate
CID 156853972
tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate
CID 79833522
1-[4-[(E)-2-(4-chlorophenyl)ethenyl]piperidin-1-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone;oxalic acid
CID 160757568
1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81204174
methyl N-[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]carbamate
CID 79833806

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone (CID 79833113) is 1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone is O=C(CN1CCOC(CO)C1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The InChIKey is IGEOFFYFVXOQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c16-11-12-9-14(7-8-18-12)10-13(17)15-5-3-1-2-4-6-15/h12,16H,1-11H2.
What are the key properties of 1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone has a molecular weight of 256.35 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 79833113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).