2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone

C13H24N2O2 — CID 94823035

IUPAC2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN2CCCCCC2)CCO1
InChIInChI=1S/C13H24N2O2/c1-12-10-15(8-9-17-12)13(16)11-14-6-4-2-3-5-7-14/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyWQGKPQUYXBEZSR-GFCCVEGCSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds2

About 2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone

2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone (PubChem CID 94823035) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
PubChem CID94823035
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN2CCCCCC2)CCO1
InChIInChI=1S/C13H24N2O2/c1-12-10-15(8-9-17-12)13(16)11-14-6-4-2-3-5-7-14/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyWQGKPQUYXBEZSR-GFCCVEGCSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Azepan-1-yl)-2-(4-(2-hydroxypropyl)piperazin-1-yl)ethanone dihydrochloride
CID 71783365
1-(Azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 47015941
2-(2-Ethylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074713
(2S)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one
CID 94512898
2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 94871554
2-[cyclohexyl(ethyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 95155737
2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
CID 95237549
1-[2-(4-Methoxypiperidin-1-yl)-2-oxoethyl]azepane
CID 131899023
2-(4-methyl-1,4-diazepan-1-yl)-1-[(2S)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 171358951
2-azepan-1-yl-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide
CID 56879289
1-(Azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
CID 71783366
2-(4-Methoxypiperidin-1-yl)-1-morpholin-4-ylethanone
CID 52364601

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone (CID 94823035) is 2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone is C[C@@H]1CN(C(=O)CN2CCCCCC2)CCO1.
What is the InChIKey of 2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The InChIKey is WQGKPQUYXBEZSR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12-10-15(8-9-17-12)13(16)11-14-6-4-2-3-5-7-14/h12H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of 2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 94823035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).