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

C22H20N2O3 — CID 1074743

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H20N2O3/c25-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)23-12-14-24(15-13-23)22(26)20-7-4-16-27-20/h1-11,16H,12-15H2
InChIKeyJYBSTKBBMYRAGH-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.54
Rot. Bonds3

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

[4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 1074743) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID1074743
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H20N2O3/c25-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)23-12-14-24(15-13-23)22(26)20-7-4-16-27-20/h1-11,16H,12-15H2
InChIKeyJYBSTKBBMYRAGH-UHFFFAOYSA-N
XLogP3.54
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 1074743) is [4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is JYBSTKBBMYRAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)23-12-14-24(15-13-23)22(26)20-7-4-16-27-20/h1-11,16H,12-15H2.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 360.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 1074743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).