2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide

C14H28N4O3 — CID 78912437

IUPAC2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)CNCCOC)CC1
InChIInChI=1S/C14H28N4O3/c1-3-4-16-13(19)12-17-6-8-18(9-7-17)14(20)11-15-5-10-21-2/h15H,3-12H2,1-2H3,(H,16,19)
InChIKeySKJXCHYFNCKXCH-UHFFFAOYSA-N
MW300.40 g/mol
LogP-1.11
Rot. Bonds9

About 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide

2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 78912437) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
PubChem CID78912437
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC Name2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)CNCCOC)CC1
InChIInChI=1S/C14H28N4O3/c1-3-4-16-13(19)12-17-6-8-18(9-7-17)14(20)11-15-5-10-21-2/h15H,3-12H2,1-2H3,(H,16,19)
InChIKeySKJXCHYFNCKXCH-UHFFFAOYSA-N
XLogP-1.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-1.11
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

2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 79270934
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 60937146
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119836738
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119831605
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
CID 54874647
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
CID 79203329
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
2-(2-methoxyethylamino)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119851436
2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate
CID 78803248

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide (CID 78912437) is 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)CNCCOC)CC1.
What is the InChIKey of 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is SKJXCHYFNCKXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-3-4-16-13(19)12-17-6-8-18(9-7-17)14(20)11-15-5-10-21-2/h15H,3-12H2,1-2H3,(H,16,19).
What are the key properties of 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 300.40 g/mol, XLogP of -1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 78912437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).