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

C16H18N2O3 — CID 595810

IUPACfuran-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H18N2O3/c1-20-14-6-3-2-5-13(14)17-8-10-18(11-9-17)16(19)15-7-4-12-21-15/h2-7,12H,8-11H2,1H3
InChIKeySYXINOCTZCPNLE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.25
Rot. Bonds3

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

furan-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 595810) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is furan-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID595810
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namefuran-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H18N2O3/c1-20-14-6-3-2-5-13(14)17-8-10-18(11-9-17)16(19)15-7-4-12-21-15/h2-7,12H,8-11H2,1H3
InChIKeySYXINOCTZCPNLE-UHFFFAOYSA-N
XLogP2.25
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 595810) is furan-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is SYXINOCTZCPNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-6-3-2-5-13(14)17-8-10-18(11-9-17)16(19)15-7-4-12-21-15/h2-7,12H,8-11H2,1H3.
What are the key properties of furan-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 286.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 595810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).