2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide

C21H26N4O4 — CID 9254974

IUPAC2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N4O4/c1-23(15-19(26)22-14-18-8-5-13-29-18)20(27)16-24-9-11-25(12-10-24)21(28)17-6-3-2-4-7-17/h2-8,13H,9-12,14-16H2,1H3,(H,22,26)
InChIKeyYBIVCNNYNFHOIN-UHFFFAOYSA-N
MW398.46 g/mol
LogP0.81
Rot. Bonds7

About 2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide

2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 9254974) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID9254974
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N4O4/c1-23(15-19(26)22-14-18-8-5-13-29-18)20(27)16-24-9-11-25(12-10-24)21(28)17-6-3-2-4-7-17/h2-8,13H,9-12,14-16H2,1H3,(H,22,26)
InChIKeyYBIVCNNYNFHOIN-UHFFFAOYSA-N
XLogP0.81
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 9254514
N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227342
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 9223461
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 36875873
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9253771
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide
CID 9253639
2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 35148049
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 9375196
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide (CID 9254974) is 2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)NCc1ccco1)C(=O)CN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is YBIVCNNYNFHOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-23(15-19(26)22-14-18-8-5-13-29-18)20(27)16-24-9-11-25(12-10-24)21(28)17-6-3-2-4-7-17/h2-8,13H,9-12,14-16H2,1H3,(H,22,26).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide?
2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 398.46 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 9254974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).