3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid

C14H20N2O4 — CID 154796437

IUPAC3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(N2CCN(Cc3ccco3)CC2)CCOC1
InChIInChI=1S/C14H20N2O4/c17-13(18)14(3-9-19-11-14)16-6-4-15(5-7-16)10-12-2-1-8-20-12/h1-2,8H,3-7,9-11H2,(H,17,18)
InChIKeyCDGSEADKZZYQCC-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.64
Rot. Bonds4

About 3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid

3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid (PubChem CID 154796437) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid
PubChem CID154796437
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(N2CCN(Cc3ccco3)CC2)CCOC1
InChIInChI=1S/C14H20N2O4/c17-13(18)14(3-9-19-11-14)16-6-4-15(5-7-16)10-12-2-1-8-20-12/h1-2,8H,3-7,9-11H2,(H,17,18)
InChIKeyCDGSEADKZZYQCC-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
CID 117011999
3-(azetidin-1-yl)oxolane-3-carboxylic acid
CID 84765930
(E)-4-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 54874934
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382
4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide
CID 119070855
[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092
3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
CID 117011822
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 126476688
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 84585261

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid (CID 154796437) is 3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid is O=C(O)C1(N2CCN(Cc3ccco3)CC2)CCOC1.
What is the InChIKey of 3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid?
The InChIKey is CDGSEADKZZYQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-13(18)14(3-9-19-11-14)16-6-4-15(5-7-16)10-12-2-1-8-20-12/h1-2,8H,3-7,9-11H2,(H,17,18).
What are the key properties of 3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid?
3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid is sourced from PubChem (CID 154796437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).