[3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

C17H19FN2O2 — CID 24817365

IUPAC[3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN2O2/c1-12-16(8-10-22-12)17(21)20-9-2-3-15(11-20)19-14-6-4-13(18)5-7-14/h4-8,10,15,19H,2-3,9,11H2,1H3
InChIKeyIVHIPLRGVAMLTG-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.44
Rot. Bonds3

About [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

[3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 24817365) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID24817365
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name[3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN2O2/c1-12-16(8-10-22-12)17(21)20-9-2-3-15(11-20)19-14-6-4-13(18)5-7-14/h4-8,10,15,19H,2-3,9,11H2,1H3
InChIKeyIVHIPLRGVAMLTG-UHFFFAOYSA-N
XLogP3.44
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fenfuram
CID 90590
2,5-Dimethyl-3-furancarboxanilide
CID 34281
N-(4-fluorophenyl)-2-methyl-5-(morpholinosulfonyl)-3-furamide
CID 2810589
3-Furanylfentanyl
CID 13653684
Arylaminoethyl amide deriv. 18
CID 11305867
1-[1-(Furan-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696183
8-(2-methylfuran-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376214
1-[1-(2-Methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118409089
1-[1-(2-Methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118409140
N-[4-[(5E)-5-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethylidene]-4,4-difluoro-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
CID 44314134
2-methyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
CID 800833
5-Methyl-furan-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 1075689

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 24817365) is [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is IVHIPLRGVAMLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12-16(8-10-22-12)17(21)20-9-2-3-15(11-20)19-14-6-4-13(18)5-7-14/h4-8,10,15,19H,2-3,9,11H2,1H3.
What are the key properties of [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 302.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 24817365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).