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

C13H24N2O2 — CID 94823036

IUPAC2-(azepan-1-yl)-1-[(2S)-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-/m0/s1
InChIKeyWQGKPQUYXBEZSR-LBPRGKRZSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds2

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

2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone (PubChem CID 94823036) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
PubChem CID94823036
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(azepan-1-yl)-1-[(2S)-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-/m0/s1
InChIKeyWQGKPQUYXBEZSR-LBPRGKRZSA-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

2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 114681420
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 103576869
1-[2-(2-methylmorpholin-4-yl)acetyl]piperidine-3-carboxamide
CID 134055223
3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137530
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62062880
2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 98689719
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 102682988
1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 18131445
2-(1-aminocyclohexyl)-1-(2-methylmorpholin-4-yl)ethanone
CID 64685311
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62015912
1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 100837417

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone (CID 94823036) is 2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone is C[C@H]1CN(C(=O)CN2CCCCCC2)CCO1.
What is the InChIKey of 2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
The InChIKey is WQGKPQUYXBEZSR-LBPRGKRZSA-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-/m0/s1.
What are the key properties of 2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
2-(azepan-1-yl)-1-[(2S)-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-[(2S)-2-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 94823036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).