N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide

C14H28N4O3 — CID 119836390

IUPACN-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide
SMILESCNCC(C)C(=O)N1CCN(CC(=O)NCCOC)CC1
InChIInChI=1S/C14H28N4O3/c1-12(10-15-2)14(20)18-7-5-17(6-8-18)11-13(19)16-4-9-21-3/h12,15H,4-11H2,1-3H3,(H,16,19)
InChIKeyYDHSPRJUZCHMON-UHFFFAOYSA-N
MW300.40 g/mol
LogP-1.25
Rot. Bonds8

About N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide (PubChem CID 119836390) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide
PubChem CID119836390
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC NameN-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide
SMILESCNCC(C)C(=O)N1CCN(CC(=O)NCCOC)CC1
InChIInChI=1S/C14H28N4O3/c1-12(10-15-2)14(20)18-7-5-17(6-8-18)11-13(19)16-4-9-21-3/h12,15H,4-11H2,1-3H3,(H,16,19)
InChIKeyYDHSPRJUZCHMON-UHFFFAOYSA-N
XLogP-1.25
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-1.25
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

N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836348
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836370
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 78912437
methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78913615
N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129107
N-(2,6-dimethylphenyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide
CID 119833398
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375
2-[4-[N-ethyl-N'-(3-hydroxy-2-methylpropyl)carbamimidoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111412127
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 55432632

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide (CID 119836390) is N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide is CNCC(C)C(=O)N1CCN(CC(=O)NCCOC)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is YDHSPRJUZCHMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-12(10-15-2)14(20)18-7-5-17(6-8-18)11-13(19)16-4-9-21-3/h12,15H,4-11H2,1-3H3,(H,16,19).
What are the key properties of N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 300.40 g/mol, XLogP of -1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 119836390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).