furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

C17H20N2O2 — CID 780086

IUPACfuran-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C17H20N2O2/c1-14-4-6-15(7-5-14)13-18-8-10-19(11-9-18)17(20)16-3-2-12-21-16/h2-7,12H,8-11,13H2,1H3
InChIKeyOXFWYLXQGPAEMM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.55
Rot. Bonds3

About furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 780086) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID780086
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namefuran-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C17H20N2O2/c1-14-4-6-15(7-5-14)13-18-8-10-19(11-9-18)17(20)16-3-2-12-21-16/h2-7,12H,8-11,13H2,1H3
InChIKeyOXFWYLXQGPAEMM-UHFFFAOYSA-N
XLogP2.55
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone (CID 780086) is furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is OXFWYLXQGPAEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-14-4-6-15(7-5-14)13-18-8-10-19(11-9-18)17(20)16-3-2-12-21-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 780086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).