(2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone

C17H15F2NO3 — CID 51082686

IUPAC(2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H15F2NO3/c18-13-1-2-15(19)14(9-13)16(21)11-3-6-20(7-4-11)17(22)12-5-8-23-10-12/h1-2,5,8-11H,3-4,6-7H2
InChIKeyYFTHKELEYUTRCQ-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.29
Rot. Bonds3

About (2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone

(2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone (PubChem CID 51082686) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone
PubChem CID51082686
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name(2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H15F2NO3/c18-13-1-2-15(19)14(9-13)16(21)11-3-6-20(7-4-11)17(22)12-5-8-23-10-12/h1-2,5,8-11H,3-4,6-7H2
InChIKeyYFTHKELEYUTRCQ-UHFFFAOYSA-N
XLogP3.29
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-difluorophenyl)-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]methanone
CID 47057916
(2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55964769
3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 75404213
(2,5-difluorophenyl)-[1-(4-hexoxy-3-methoxybenzoyl)piperidin-4-yl]methanone
CID 55748083
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
(2,5-difluorophenyl)-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-yl]methanone
CID 71889854
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048626
(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone
CID 120925889
N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569045
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136516484
[4-(4-fluoro-2-nitroanilino)piperidin-1-yl]-(furan-3-yl)methanone
CID 31660157

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone (CID 51082686) is (2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone is O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of (2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone?
The InChIKey is YFTHKELEYUTRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c18-13-1-2-15(19)14(9-13)16(21)11-3-6-20(7-4-11)17(22)12-5-8-23-10-12/h1-2,5,8-11H,3-4,6-7H2.
What are the key properties of (2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone?
(2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone has a molecular weight of 319.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 51082686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).