[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone

C17H20N2O3 — CID 660911

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccoc2C)CC1
InChIInChI=1S/C17H20N2O3/c1-13-14(7-12-22-13)17(20)19-10-8-18(9-11-19)15-5-3-4-6-16(15)21-2/h3-7,12H,8-11H2,1-2H3
InChIKeyWPVDGZHBRDIEAL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.56
Rot. Bonds3

About [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 660911) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID660911
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccoc2C)CC1
InChIInChI=1S/C17H20N2O3/c1-13-14(7-12-22-13)17(20)19-10-8-18(9-11-19)15-5-3-4-6-16(15)21-2/h3-7,12H,8-11H2,1-2H3
InChIKeyWPVDGZHBRDIEAL-UHFFFAOYSA-N
XLogP2.56
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone (CID 660911) is [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone is COc1ccccc1N1CCN(C(=O)c2ccoc2C)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is WPVDGZHBRDIEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-14(7-12-22-13)17(20)19-10-8-18(9-11-19)15-5-3-4-6-16(15)21-2/h3-7,12H,8-11H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 660911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).