N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

C17H26N4O4 — CID 108522264

IUPACN-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCN(CC)CCNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H26N4O4/c1-3-19(4-2)8-7-18-15(22)17(24)21-11-9-20(10-12-21)16(23)14-6-5-13-25-14/h5-6,13H,3-4,7-12H2,1-2H3,(H,18,22)
InChIKeyKCIANCCVVKCIHF-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.02
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108522264) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108522264
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCN(CC)CCNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H26N4O4/c1-3-19(4-2)8-7-18-15(22)17(24)21-11-9-20(10-12-21)16(23)14-6-5-13-25-14/h5-6,13H,3-4,7-12H2,1-2H3,(H,18,22)
InChIKeyKCIANCCVVKCIHF-UHFFFAOYSA-N
XLogP0.02
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108514040
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
N-[2-(dimethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 108994620
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111168861
N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108527945
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
CID 110397647
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
N-ethyl-4-(furan-2-carbonyl)-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 111168751
tert-butyl N-ethyl-N-[2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]carbamate
CID 111169000
N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108531126
N-[2-[benzyl(methyl)amino]ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167108

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (CID 108522264) is N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is CCN(CC)CCNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is KCIANCCVVKCIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-3-19(4-2)8-7-18-15(22)17(24)21-11-9-20(10-12-21)16(23)14-6-5-13-25-14/h5-6,13H,3-4,7-12H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 350.42 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108522264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).