(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone

C18H21FN2O2 — CID 71998532

IUPAC(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)c(C)o1
InChIInChI=1S/C18H21FN2O2/c1-12-11-15(13(2)23-12)18(22)21-9-7-14(8-10-21)20-17-6-4-3-5-16(17)19/h3-6,11,14,20H,7-10H2,1-2H3
InChIKeyAFJJCGZVSNIJPJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.75
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone (PubChem CID 71998532) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
PubChem CID71998532
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)c(C)o1
InChIInChI=1S/C18H21FN2O2/c1-12-11-15(13(2)23-12)18(22)21-9-7-14(8-10-21)20-17-6-4-3-5-16(17)19/h3-6,11,14,20H,7-10H2,1-2H3
InChIKeyAFJJCGZVSNIJPJ-UHFFFAOYSA-N
XLogP3.75
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 154758654
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 51276164
(2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998533
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 47067173
[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 87028582
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 24981685
(2,5-dimethylfuran-3-yl)-[(7S)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99903831
[4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 51104236
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide
CID 99816350
(4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
CID 3950968

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone (CID 71998532) is (2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone?
The InChIKey is AFJJCGZVSNIJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12-11-15(13(2)23-12)18(22)21-9-7-14(8-10-21)20-17-6-4-3-5-16(17)19/h3-6,11,14,20H,7-10H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 71998532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).