2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide

C12H26N4O2 — CID 54956375

IUPAC2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(CCCN)CC1
InChIInChI=1S/C12H26N4O2/c1-18-10-4-14-12(17)11-16-8-6-15(7-9-16)5-2-3-13/h2-11,13H2,1H3,(H,14,17)
InChIKeyHTXGKSKQEYOGCV-UHFFFAOYSA-N
MW258.37 g/mol
LogP-1.28
Rot. Bonds8

About 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 54956375) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID54956375
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(CCCN)CC1
InChIInChI=1S/C12H26N4O2/c1-18-10-4-14-12(17)11-16-8-6-15(7-9-16)5-2-3-13/h2-11,13H2,1H3,(H,14,17)
InChIKeyHTXGKSKQEYOGCV-UHFFFAOYSA-N
XLogP-1.28
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78913615
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide
CID 61485839
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488098
N-(3-aminopropyl)-2-[4,7,10-tris[2-(3-aminopropylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101418883
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43251325
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
N-[2-(2-aminoethoxy)ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 175195064
N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129107
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492440
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
CID 43251542
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 54956375) is 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(CCCN)CC1.
What is the InChIKey of 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is HTXGKSKQEYOGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-18-10-4-14-12(17)11-16-8-6-15(7-9-16)5-2-3-13/h2-11,13H2,1H3,(H,14,17).
What are the key properties of 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 258.37 g/mol, XLogP of -1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54956375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).