2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide

C13H27N3O2 — CID 63759350

IUPAC2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CCCCC1CCN
InChIInChI=1S/C13H27N3O2/c1-11(13(17)15-8-10-18-2)16-9-4-3-5-12(16)6-7-14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyXXYUCROYAGZXOO-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds7

About 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide

2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 63759350) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID63759350
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CCCCC1CCN
InChIInChI=1S/C13H27N3O2/c1-11(13(17)15-8-10-18-2)16-9-4-3-5-12(16)6-7-14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyXXYUCROYAGZXOO-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
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

2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63758968
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63760320
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 63762840
2-[2-(aminomethyl)azepan-1-yl]-N-pentylpropanamide
CID 116640455
tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537691
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613
1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 63755020
(2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 95342782
(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129359564
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63852938
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide (CID 63759350) is 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N1CCCCC1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is XXYUCROYAGZXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(13(17)15-8-10-18-2)16-9-4-3-5-12(16)6-7-14/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide?
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 63759350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).