2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide

C14H28N4O4 — CID 108517898

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide
SMILESCOCCN(CCOC)C(=O)C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C14H28N4O4/c1-21-11-9-18(10-12-22-2)14(20)13(19)17-7-5-16(4-3-15)6-8-17/h3-12,15H2,1-2H3
InChIKeyGHSMJPPSUAKGKT-UHFFFAOYSA-N
MW316.40 g/mol
LogP-1.79
Rot. Bonds8

About 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide

2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide (PubChem CID 108517898) has the molecular formula C14H28N4O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide
PubChem CID108517898
Molecular FormulaC14H28N4O4
Molecular Weight316.40 g/mol
Exact Mass316.21
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide
SMILESCOCCN(CCOC)C(=O)C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C14H28N4O4/c1-21-11-9-18(10-12-22-2)14(20)13(19)17-7-5-16(4-3-15)6-8-17/h3-12,15H2,1-2H3
InChIKeyGHSMJPPSUAKGKT-UHFFFAOYSA-N
XLogP-1.79
TPSA88.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide (CID 108517898) is 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide is COCCN(CCOC)C(=O)C(=O)N1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide?
The InChIKey is GHSMJPPSUAKGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O4/c1-21-11-9-18(10-12-22-2)14(20)13(19)17-7-5-16(4-3-15)6-8-17/h3-12,15H2,1-2H3.
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide has a molecular weight of 316.40 g/mol, XLogP of -1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide is sourced from PubChem (CID 108517898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).