4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide

C18H20N4O4 — CID 3406360

IUPAC4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N4O4/c19-17(24)13-3-5-14(6-4-13)20-16(23)12-21-7-9-22(10-8-21)18(25)15-2-1-11-26-15/h1-6,11H,7-10,12H2,(H2,19,24)(H,20,23)
InChIKeyUZFHTKCHXVUSFQ-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.77
Rot. Bonds5

About 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide

4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 3406360) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID3406360
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N4O4/c19-17(24)13-3-5-14(6-4-13)20-16(23)12-21-7-9-22(10-8-21)18(25)15-2-1-11-26-15/h1-6,11H,7-10,12H2,(H2,19,24)(H,20,23)
InChIKeyUZFHTKCHXVUSFQ-UHFFFAOYSA-N
XLogP0.77
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide (CID 3406360) is 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is UZFHTKCHXVUSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c19-17(24)13-3-5-14(6-4-13)20-16(23)12-21-7-9-22(10-8-21)18(25)15-2-1-11-26-15/h1-6,11H,7-10,12H2,(H2,19,24)(H,20,23).
What are the key properties of 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide?
4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 356.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 3406360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).