furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone

C14H20N2O4 — CID 111976736

IUPACfuran-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(CC2(CO)COC2)CC1
InChIInChI=1S/C14H20N2O4/c17-9-14(10-20-11-14)8-15-2-4-16(5-3-15)13(18)12-1-6-19-7-12/h1,6-7,17H,2-5,8-11H2
InChIKeyFNKMZDFQWYDXEM-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.05
Rot. Bonds4

About furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone

furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 111976736) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID111976736
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namefuran-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(CC2(CO)COC2)CC1
InChIInChI=1S/C14H20N2O4/c17-9-14(10-20-11-14)8-15-2-4-16(5-3-15)13(18)12-1-6-19-7-12/h1,6-7,17H,2-5,8-11H2
InChIKeyFNKMZDFQWYDXEM-UHFFFAOYSA-N
XLogP0.05
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-3-yl-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]methanone
CID 110905169
2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
CID 129368099
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705
furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 18104739
[4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 99791992
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34955514
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
(4-ethylsulfonyl-1,4-diazepan-1-yl)-(furan-3-yl)methanone
CID 53016384
4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
CID 22594028
furan-3-carboxylic acid;dihydrochloride
CID 141114987
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 37279771

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone (CID 111976736) is furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone is O=C(c1ccoc1)N1CCN(CC2(CO)COC2)CC1.
What is the InChIKey of furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is FNKMZDFQWYDXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-9-14(10-20-11-14)8-15-2-4-16(5-3-15)13(18)12-1-6-19-7-12/h1,6-7,17H,2-5,8-11H2.
What are the key properties of furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone?
furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 280.32 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 111976736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).