1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide

C12H23N3O3 — CID 103811077

IUPAC1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)CNCCOC)C1
InChIInChI=1S/C12H23N3O3/c1-13-12(17)10-4-3-6-15(9-10)11(16)8-14-5-7-18-2/h10,14H,3-9H2,1-2H3,(H,13,17)
InChIKeyLLNYKWAYZGKUNY-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.79
Rot. Bonds6

About 1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide

1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103811077) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide
PubChem CID103811077
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)CNCCOC)C1
InChIInChI=1S/C12H23N3O3/c1-13-12(17)10-4-3-6-15(9-10)11(16)8-14-5-7-18-2/h10,14H,3-9H2,1-2H3,(H,13,17)
InChIKeyLLNYKWAYZGKUNY-UHFFFAOYSA-N
XLogP-0.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyethylamino)acetyl]piperidine-3-carboxamide
CID 78913900
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281481
2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone
CID 119807853
1-[2-(2-methoxyethylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 79282787
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113234306
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 112625104
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
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
1-(azepan-1-yl)-2-[(3-hydroxy-4-methoxybutyl)amino]ethanone
CID 114163624
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 79281115

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide (CID 103811077) is 1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)CNCCOC)C1.
What is the InChIKey of 1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is LLNYKWAYZGKUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-13-12(17)10-4-3-6-15(9-10)11(16)8-14-5-7-18-2/h10,14H,3-9H2,1-2H3,(H,13,17).
What are the key properties of 1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide?
1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103811077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).