N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide

C23H31FN2O2 — CID 24791170

IUPACN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C23H31FN2O2/c1-4-26(23(27)22-13-17(2)28-18(22)3)16-20-8-6-11-25(15-20)12-10-19-7-5-9-21(24)14-19/h5,7,9,13-14,20H,4,6,8,10-12,15-16H2,1-3H3
InChIKeyHLEOWZVZGQPICN-UHFFFAOYSA-N
MW386.51 g/mol
LogP4.45
Rot. Bonds7

About N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide

N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 24791170) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID24791170
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C23H31FN2O2/c1-4-26(23(27)22-13-17(2)28-18(22)3)16-20-8-6-11-25(15-20)12-10-19-7-5-9-21(24)14-19/h5,7,9,13-14,20H,4,6,8,10-12,15-16H2,1-3H3
InChIKeyHLEOWZVZGQPICN-UHFFFAOYSA-N
XLogP4.45
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 54.45
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]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide (CID 24791170) is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide is CCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is HLEOWZVZGQPICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2/c1-4-26(23(27)22-13-17(2)28-18(22)3)16-20-8-6-11-25(15-20)12-10-19-7-5-9-21(24)14-19/h5,7,9,13-14,20H,4,6,8,10-12,15-16H2,1-3H3.
What are the key properties of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 386.51 g/mol, XLogP of 4.45, 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]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 24791170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).