2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone

C14H28N2O2 — CID 119807853

IUPAC2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CCCC(CC(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-12(2)9-13-5-4-7-16(11-13)14(17)10-15-6-8-18-3/h12-13,15H,4-11H2,1-3H3
InChIKeyYFQNTSBKWNZNFD-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.51
Rot. Bonds7

About 2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone

2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone (PubChem CID 119807853) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone
PubChem CID119807853
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CCCC(CC(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-12(2)9-13-5-4-7-16(11-13)14(17)10-15-6-8-18-3/h12-13,15H,4-11H2,1-3H3
InChIKeyYFQNTSBKWNZNFD-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281481
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-[(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
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 79281115
2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79290556

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone (CID 119807853) is 2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone is COCCNCC(=O)N1CCCC(CC(C)C)C1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone?
The InChIKey is YFQNTSBKWNZNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)9-13-5-4-7-16(11-13)14(17)10-15-6-8-18-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone?
2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone has a molecular weight of 256.39 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119807853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).