2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide

C21H24N4O4 — CID 108986173

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H24N4O4/c26-19(22-16-5-7-17(8-6-16)23-9-1-2-10-23)21(28)25-13-11-24(12-14-25)20(27)18-4-3-15-29-18/h3-8,15H,1-2,9-14H2,(H,22,26)
InChIKeyKDOAJDVJCXDZJX-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.80
Rot. Bonds3

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 108986173) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID108986173
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H24N4O4/c26-19(22-16-5-7-17(8-6-16)23-9-1-2-10-23)21(28)25-13-11-24(12-14-25)20(27)18-4-3-15-29-18/h3-8,15H,1-2,9-14H2,(H,22,26)
InChIKeyKDOAJDVJCXDZJX-UHFFFAOYSA-N
XLogP1.80
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.80
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]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
CID 108527758
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-piperidin-1-ylphenyl)acetamide
CID 8704277
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 112984587
N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108527945
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502696
[4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108527865
N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide
CID 3775662
2-bromo-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 2231786
4-(furan-2-carbonyl)-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 91667383
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 108986173) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(Nc1ccc(N2CCCC2)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is KDOAJDVJCXDZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c26-19(22-16-5-7-17(8-6-16)23-9-1-2-10-23)21(28)25-13-11-24(12-14-25)20(27)18-4-3-15-29-18/h3-8,15H,1-2,9-14H2,(H,22,26).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 108986173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).