2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide

C14H28N4O3 — CID 24513106

IUPAC2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCOCCNC(=O)CN1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C14H28N4O3/c1-12(14(20)16(2)3)18-8-6-17(7-9-18)11-13(19)15-5-10-21-4/h12H,5-11H2,1-4H3,(H,15,19)
InChIKeyYOZYWBIKQKNKCY-UHFFFAOYSA-N
MW300.40 g/mol
LogP-1.16
Rot. Bonds7

About 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide

2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide (PubChem CID 24513106) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
PubChem CID24513106
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC Name2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCOCCNC(=O)CN1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C14H28N4O3/c1-12(14(20)16(2)3)18-8-6-17(7-9-18)11-13(19)15-5-10-21-4/h12H,5-11H2,1-4H3,(H,15,19)
InChIKeyYOZYWBIKQKNKCY-UHFFFAOYSA-N
XLogP-1.16
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
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
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 30722149
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 55432632
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 63848445
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375
N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24507244
methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78913615
methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate
CID 78984019
N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129107
N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide
CID 119836390
2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432285

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide (CID 24513106) is 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide is COCCNC(=O)CN1CCN(C(C)C(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is YOZYWBIKQKNKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-12(14(20)16(2)3)18-8-6-17(7-9-18)11-13(19)15-5-10-21-4/h12H,5-11H2,1-4H3,(H,15,19).
What are the key properties of 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide?
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 300.40 g/mol, XLogP of -1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 24513106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).