N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

C19H22N4O4 — CID 108527945

IUPACN-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESCN(C)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H22N4O4/c1-21(2)15-7-5-14(6-8-15)20-17(24)19(26)23-11-9-22(10-12-23)18(25)16-4-3-13-27-16/h3-8,13H,9-12H2,1-2H3,(H,20,24)
InChIKeyBRSJRPZUUBIAAW-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.27
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108527945) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108527945
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESCN(C)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H22N4O4/c1-21(2)15-7-5-14(6-8-15)20-17(24)19(26)23-11-9-22(10-12-23)18(25)16-4-3-13-27-16/h3-8,13H,9-12H2,1-2H3,(H,20,24)
InChIKeyBRSJRPZUUBIAAW-UHFFFAOYSA-N
XLogP1.27
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-2-oxoacetamide
CID 108502139
N-(4-tert-butylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108529847
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502696
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108986173
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
CID 108527758
[4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108527865
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
N-(2-amino-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108532723
N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108531126
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030213
N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108522264

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (CID 108527945) is N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is CN(C)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is BRSJRPZUUBIAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-21(2)15-7-5-14(6-8-15)20-17(24)19(26)23-11-9-22(10-12-23)18(25)16-4-3-13-27-16/h3-8,13H,9-12H2,1-2H3,(H,20,24).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 370.41 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108527945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).