5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide

C21H25N3O3 — CID 55873591

IUPAC5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
SMILESCC1CCCCN1CCNC(=O)c1ccc(COc2ccccc2C#N)o1
InChIInChI=1S/C21H25N3O3/c1-16-6-4-5-12-24(16)13-11-23-21(25)20-10-9-18(27-20)15-26-19-8-3-2-7-17(19)14-22/h2-3,7-10,16H,4-6,11-13,15H2,1H3,(H,23,25)
InChIKeyQEWPSPUHBALERI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.33
Rot. Bonds7

About 5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide

5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide (PubChem CID 55873591) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
PubChem CID55873591
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
SMILESCC1CCCCN1CCNC(=O)c1ccc(COc2ccccc2C#N)o1
InChIInChI=1S/C21H25N3O3/c1-16-6-4-5-12-24(16)13-11-23-21(25)20-10-9-18(27-20)15-26-19-8-3-2-7-17(19)14-22/h2-3,7-10,16H,4-6,11-13,15H2,1H3,(H,23,25)
InChIKeyQEWPSPUHBALERI-UHFFFAOYSA-N
XLogP3.33
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide
CID 95783263
2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 9472760
5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 52512133
5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 3240515
5-[(2-cyanophenoxy)methyl]-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 56814629
2-[[5-(azepane-1-carbonyl)furan-2-yl]methoxy]benzonitrile
CID 47051145
5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide
CID 55958481
5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide
CID 55843016
N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55825170
5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide
CID 55980089
2-[3-(2-methylpyrrolidin-1-yl)propoxy]benzonitrile
CID 54882660
5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
CID 55844677

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide (CID 55873591) is 5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide is CC1CCCCN1CCNC(=O)c1ccc(COc2ccccc2C#N)o1.
What is the InChIKey of 5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is QEWPSPUHBALERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-6-4-5-12-24(16)13-11-23-21(25)20-10-9-18(27-20)15-26-19-8-3-2-7-17(19)14-22/h2-3,7-10,16H,4-6,11-13,15H2,1H3,(H,23,25).
What are the key properties of 5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide?
5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 55873591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).