2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone

C15H28N2O2 — CID 95237549

IUPAC2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
SMILESCC[C@H]1CN(C(=O)CN2CCCCCCC2)CCO1
InChIInChI=1S/C15H28N2O2/c1-2-14-12-17(10-11-19-14)15(18)13-16-8-6-4-3-5-7-9-16/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyHBALJSGZVHVRPM-AWEZNQCLSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds3

About 2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone

2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone (PubChem CID 95237549) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
PubChem CID95237549
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
SMILESCC[C@H]1CN(C(=O)CN2CCCCCCC2)CCO1
InChIInChI=1S/C15H28N2O2/c1-2-14-12-17(10-11-19-14)15(18)13-16-8-6-4-3-5-7-9-16/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyHBALJSGZVHVRPM-AWEZNQCLSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Ethylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074713
1-{2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl}azocane
CID 70746234
2-[cyclohexyl(ethyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 95155737
2-(azocan-1-yl)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 125520785
2-(4-Methoxypiperidin-1-yl)-1-morpholin-4-ylethanone
CID 52364601
1-Morpholin-4-yl-2-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 68267292
2-[Bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone
CID 78807738
2-(Dimethylamino)-1-(2-methylmorpholin-4-yl)ethanone
CID 130634395
2-(dimethylamino)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 165172287
2-(dimethylamino)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 165172358
N-methyl-N-(2-propan-2-yloxyethyl)-2-(4-propan-2-yloxypiperidin-1-yl)acetamide
CID 172511115
4-(2-Propan-2-yloxyethyl)-1-propylpiperazin-2-one
CID 175634217

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone (CID 95237549) is 2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone is CC[C@H]1CN(C(=O)CN2CCCCCCC2)CCO1.
What is the InChIKey of 2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone?
The InChIKey is HBALJSGZVHVRPM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-14-12-17(10-11-19-14)15(18)13-16-8-6-4-3-5-7-9-16/h14H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of 2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone?
2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 95237549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).