2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide

C18H21N3O3 — CID 795870

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H21N3O3/c1-14-4-6-15(7-5-14)19-17(22)13-20-8-10-21(11-9-20)18(23)16-3-2-12-24-16/h2-7,12H,8-11,13H2,1H3,(H,19,22)
InChIKeyGAKFKKUTHKEDDT-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 795870) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID795870
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H21N3O3/c1-14-4-6-15(7-5-14)19-17(22)13-20-8-10-21(11-9-20)18(23)16-3-2-12-24-16/h2-7,12H,8-11,13H2,1H3,(H,19,22)
InChIKeyGAKFKKUTHKEDDT-UHFFFAOYSA-N
XLogP1.98
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide (CID 795870) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is GAKFKKUTHKEDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14-4-6-15(7-5-14)19-17(22)13-20-8-10-21(11-9-20)18(23)16-3-2-12-24-16/h2-7,12H,8-11,13H2,1H3,(H,19,22).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 795870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).