N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide

C19H22N2O4 — CID 2998187

IUPACN-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCC1CCCCN1C(=O)COc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H22N2O4/c1-14-5-2-3-11-21(14)18(22)13-25-16-9-7-15(8-10-16)20-19(23)17-6-4-12-24-17/h4,6-10,12,14H,2-3,5,11,13H2,1H3,(H,20,23)
InChIKeyQXIFIABPERXUCH-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.31
Rot. Bonds5

About N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 2998187) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID2998187
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC NameN-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCC1CCCCN1C(=O)COc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H22N2O4/c1-14-5-2-3-11-21(14)18(22)13-25-16-9-7-15(8-10-16)20-19(23)17-6-4-12-24-17/h4,6-10,12,14H,2-3,5,11,13H2,1H3,(H,20,23)
InChIKeyQXIFIABPERXUCH-UHFFFAOYSA-N
XLogP3.31
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 2998187) is N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide is CC1CCCCN1C(=O)COc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is QXIFIABPERXUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14-5-2-3-11-21(14)18(22)13-25-16-9-7-15(8-10-16)20-19(23)17-6-4-12-24-17/h4,6-10,12,14H,2-3,5,11,13H2,1H3,(H,20,23).
What are the key properties of N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2998187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).