methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate

C15H21NO5 — CID 56502395

IUPACmethyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN1CCCCC1C1OCCO1
InChIInChI=1S/C15H21NO5/c1-18-14(17)13-11(5-7-19-13)10-16-6-3-2-4-12(16)15-20-8-9-21-15/h5,7,12,15H,2-4,6,8-10H2,1H3
InChIKeyGMWDLUDWAQZYPK-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.79
Rot. Bonds4

About methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate

methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 56502395) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
PubChem CID56502395
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Namemethyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN1CCCCC1C1OCCO1
InChIInChI=1S/C15H21NO5/c1-18-14(17)13-11(5-7-19-13)10-16-6-3-2-4-12(16)15-20-8-9-21-15/h5,7,12,15H,2-4,6,8-10H2,1H3
InChIKeyGMWDLUDWAQZYPK-UHFFFAOYSA-N
XLogP1.79
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate (CID 56502395) is methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1occc1CN1CCCCC1C1OCCO1.
What is the InChIKey of methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is GMWDLUDWAQZYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-18-14(17)13-11(5-7-19-13)10-16-6-3-2-4-12(16)15-20-8-9-21-15/h5,7,12,15H,2-4,6,8-10H2,1H3.
What are the key properties of methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate?
methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 295.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 56502395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).