2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide

C13H27N3O2 — CID 79474135

IUPAC2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
SMILESCC(CNC(=O)COCCN)CN1CCCCC1
InChIInChI=1S/C13H27N3O2/c1-12(10-16-6-3-2-4-7-16)9-15-13(17)11-18-8-5-14/h12H,2-11,14H2,1H3,(H,15,17)
InChIKeyPBGCFVQJXFQWSC-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds8

About 2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide

2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide (PubChem CID 79474135) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
PubChem CID79474135
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
SMILESCC(CNC(=O)COCCN)CN1CCCCC1
InChIInChI=1S/C13H27N3O2/c1-12(10-16-6-3-2-4-7-16)9-15-13(17)11-18-8-5-14/h12H,2-11,14H2,1H3,(H,15,17)
InChIKeyPBGCFVQJXFQWSC-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide 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

2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
CID 62060306
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 112605287
7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
CID 62060956
5-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pentanamide
CID 82012433
2-(2-aminoethoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 79464083
ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate
CID 61243779
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 54906618
2-(1-hydroxycyclohexyl)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 111331945

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide (CID 79474135) is 2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide is CC(CNC(=O)COCCN)CN1CCCCC1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide?
The InChIKey is PBGCFVQJXFQWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-12(10-16-6-3-2-4-7-16)9-15-13(17)11-18-8-5-14/h12H,2-11,14H2,1H3,(H,15,17).
What are the key properties of 2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide?
2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 79474135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).