1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone

C12H24N2O2 — CID 79281481

IUPAC1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
SMILESCCC1CCCN(C(=O)CNCCOC)C1
InChIInChI=1S/C12H24N2O2/c1-3-11-5-4-7-14(10-11)12(15)9-13-6-8-16-2/h11,13H,3-10H2,1-2H3
InChIKeyDFONUBHITFXZSR-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds6

About 1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone

1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone (PubChem CID 79281481) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
PubChem CID79281481
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
SMILESCCC1CCCN(C(=O)CNCCOC)C1
InChIInChI=1S/C12H24N2O2/c1-3-11-5-4-7-14(10-11)12(15)9-13-6-8-16-2/h11,13H,3-10H2,1-2H3
InChIKeyDFONUBHITFXZSR-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone
CID 119807853
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 112625104
1-[2-(2-methoxyethylamino)acetyl]piperidine-3-carboxamide
CID 78913900
1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 103811077
1-[(3R)-3-ethylpiperidin-1-yl]-2-methoxyethanone
CID 155354237
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(2-methoxyethylamino)ethanone
CID 78914134
1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119880873
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 79281115
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone (CID 79281481) is 1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone is CCC1CCCN(C(=O)CNCCOC)C1.
What is the InChIKey of 1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is DFONUBHITFXZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-11-5-4-7-14(10-11)12(15)9-13-6-8-16-2/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 228.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 79281481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).