1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone

C17H18N2O3 — CID 776731

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18N2O3/c20-16(13-14-5-2-1-3-6-14)18-8-10-19(11-9-18)17(21)15-7-4-12-22-15/h1-7,12H,8-11,13H2
InChIKeyPAWMCORUNPSBNX-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.81
Rot. Bonds3

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 776731) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone
PubChem CID776731
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18N2O3/c20-16(13-14-5-2-1-3-6-14)18-8-10-19(11-9-18)17(21)15-7-4-12-22-15/h1-7,12H,8-11,13H2
InChIKeyPAWMCORUNPSBNX-UHFFFAOYSA-N
XLogP1.81
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone (CID 776731) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is PAWMCORUNPSBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(13-14-5-2-1-3-6-14)18-8-10-19(11-9-18)17(21)15-7-4-12-22-15/h1-7,12H,8-11,13H2.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 298.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 776731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).