N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide

C22H29FN2O2 — CID 45239530

IUPACN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)c1ccoc1C
InChIInChI=1S/C22H29FN2O2/c1-3-25(22(26)21-10-13-27-17(21)2)16-19-7-5-11-24(15-19)12-9-18-6-4-8-20(23)14-18/h4,6,8,10,13-14,19H,3,5,7,9,11-12,15-16H2,1-2H3
InChIKeyWBCASGSVAYUJEK-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.14
Rot. Bonds7

About N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide

N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide (PubChem CID 45239530) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide
PubChem CID45239530
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)c1ccoc1C
InChIInChI=1S/C22H29FN2O2/c1-3-25(22(26)21-10-13-27-17(21)2)16-19-7-5-11-24(15-19)12-9-18-6-4-8-20(23)14-18/h4,6,8,10,13-14,19H,3,5,7,9,11-12,15-16H2,1-2H3
InChIKeyWBCASGSVAYUJEK-UHFFFAOYSA-N
XLogP4.14
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide (CID 45239530) is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide is CCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)c1ccoc1C.
What is the InChIKey of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide?
The InChIKey is WBCASGSVAYUJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-3-25(22(26)21-10-13-27-17(21)2)16-19-7-5-11-24(15-19)12-9-18-6-4-8-20(23)14-18/h4,6,8,10,13-14,19H,3,5,7,9,11-12,15-16H2,1-2H3.
What are the key properties of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide?
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide has a molecular weight of 372.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 45239530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).