N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide

C21H25FN2O4 — CID 131938017

IUPACN-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(C(=O)C(O)c3ccc(F)cc3)CC2)c(C)o1
InChIInChI=1S/C21H25FN2O4/c1-13-11-18(14(2)28-13)20(26)23-12-15-7-9-24(10-8-15)21(27)19(25)16-3-5-17(22)6-4-16/h3-6,11,15,19,25H,7-10,12H2,1-2H3,(H,23,26)
InChIKeyIXFQUDIVLDZXSO-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.74
Rot. Bonds5

About N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide

N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 131938017) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID131938017
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(C(=O)C(O)c3ccc(F)cc3)CC2)c(C)o1
InChIInChI=1S/C21H25FN2O4/c1-13-11-18(14(2)28-13)20(26)23-12-15-7-9-24(10-8-15)21(27)19(25)16-3-5-17(22)6-4-16/h3-6,11,15,19,25H,7-10,12H2,1-2H3,(H,23,26)
InChIKeyIXFQUDIVLDZXSO-UHFFFAOYSA-N
XLogP2.74
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide (CID 131938017) is N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC2CCN(C(=O)C(O)c3ccc(F)cc3)CC2)c(C)o1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is IXFQUDIVLDZXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-13-11-18(14(2)28-13)20(26)23-12-15-7-9-24(10-8-15)21(27)19(25)16-3-5-17(22)6-4-16/h3-6,11,15,19,25H,7-10,12H2,1-2H3,(H,23,26).
What are the key properties of N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 131938017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).