2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

C21H26N4O6 — CID 35148049

IUPAC2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCOc1cc(OC)cc(C(=O)N2CCN(CC(=O)NC(=O)NCc3ccco3)CC2)c1
InChIInChI=1S/C21H26N4O6/c1-29-17-10-15(11-18(12-17)30-2)20(27)25-7-5-24(6-8-25)14-19(26)23-21(28)22-13-16-4-3-9-31-16/h3-4,9-12H,5-8,13-14H2,1-2H3,(H2,22,23,26,28)
InChIKeyDOKASOTYOXNXQX-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.08
Rot. Bonds7

About 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 35148049) has the molecular formula C21H26N4O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID35148049
Molecular FormulaC21H26N4O6
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCOc1cc(OC)cc(C(=O)N2CCN(CC(=O)NC(=O)NCc3ccco3)CC2)c1
InChIInChI=1S/C21H26N4O6/c1-29-17-10-15(11-18(12-17)30-2)20(27)25-7-5-24(6-8-25)14-19(26)23-21(28)22-13-16-4-3-9-31-16/h3-4,9-12H,5-8,13-14H2,1-2H3,(H2,22,23,26,28)
InChIKeyDOKASOTYOXNXQX-UHFFFAOYSA-N
XLogP1.08
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227342
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 36875873
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 38143722
N-(furan-2-ylmethylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43348702
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-4-methoxybenzamide
CID 17468809
N-(furan-2-ylmethylcarbamoyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 47006382
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2697596
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9254974
N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2698399
2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 35146831

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 35148049) is 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is COc1cc(OC)cc(C(=O)N2CCN(CC(=O)NC(=O)NCc3ccco3)CC2)c1.
What is the InChIKey of 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is DOKASOTYOXNXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6/c1-29-17-10-15(11-18(12-17)30-2)20(27)25-7-5-24(6-8-25)14-19(26)23-21(28)22-13-16-4-3-9-31-16/h3-4,9-12H,5-8,13-14H2,1-2H3,(H2,22,23,26,28).
What are the key properties of 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 430.46 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 35148049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).