3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one

C17H20N2O5 — CID 162657390

IUPAC3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one
SMILESCc1occc(=O)c1OCCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H20N2O5/c1-13-16(14(20)4-11-22-13)24-12-9-18-5-7-19(8-6-18)17(21)15-3-2-10-23-15/h2-4,10-11H,5-9,12H2,1H3
InChIKeyZPAXPXPEMPOWGE-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.38
Rot. Bonds5

About 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one

3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one (PubChem CID 162657390) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one.

Molecular Properties

Compound Name3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one
PubChem CID162657390
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one
SMILESCc1occc(=O)c1OCCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H20N2O5/c1-13-16(14(20)4-11-22-13)24-12-9-18-5-7-19(8-6-18)17(21)15-3-2-10-23-15/h2-4,10-11H,5-9,12H2,1H3
InChIKeyZPAXPXPEMPOWGE-UHFFFAOYSA-N
XLogP1.38
TPSA76.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-benzoylpiperazin-1-yl)ethoxy]-2-methylpyran-4-one
CID 162643961
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 78789988
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl (Z)-3-aminobut-2-enoate
CID 70416273
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
furan-2-yl-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 171997967
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71096247

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one?
The IUPAC name of 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one (CID 162657390) is 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one.
What is the SMILES notation for 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one?
The canonical SMILES for 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one is Cc1occc(=O)c1OCCN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one?
The InChIKey is ZPAXPXPEMPOWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-13-16(14(20)4-11-22-13)24-12-9-18-5-7-19(8-6-18)17(21)15-3-2-10-23-15/h2-4,10-11H,5-9,12H2,1H3.
What are the key properties of 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one?
3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one has a molecular weight of 332.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one is sourced from PubChem (CID 162657390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).