N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide

C18H19N3O4 — CID 974127

IUPACN-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H19N3O4/c1-13(22)19-15-6-4-14(5-7-15)17(23)20-8-10-21(11-9-20)18(24)16-3-2-12-25-16/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyRAIFGPADPZGSFG-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.84
Rot. Bonds3

About N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide

N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 974127) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID974127
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H19N3O4/c1-13(22)19-15-6-4-14(5-7-15)17(23)20-8-10-21(11-9-20)18(24)16-3-2-12-25-16/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyRAIFGPADPZGSFG-UHFFFAOYSA-N
XLogP1.84
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide (CID 974127) is N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is RAIFGPADPZGSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13(22)19-15-6-4-14(5-7-15)17(23)20-8-10-21(11-9-20)18(24)16-3-2-12-25-16/h2-7,12H,8-11H2,1H3,(H,19,22).
What are the key properties of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 974127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).