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

C18H20BrNO3 — CID 78862494

IUPAC(4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
SMILESCc1oc(C)c(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1Br
InChIInChI=1S/C18H20BrNO3/c1-11-16(17(19)12(2)23-11)18(22)20-9-7-14(8-10-20)13-3-5-15(21)6-4-13/h3-6,14,21H,7-10H2,1-2H3
InChIKeyXVOINWKGEGPDGL-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.38
Rot. Bonds2

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

(4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone (PubChem CID 78862494) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
PubChem CID78862494
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name(4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
SMILESCc1oc(C)c(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1Br
InChIInChI=1S/C18H20BrNO3/c1-11-16(17(19)12(2)23-11)18(22)20-9-7-14(8-10-20)13-3-5-15(21)6-4-13/h3-6,14,21H,7-10H2,1-2H3
InChIKeyXVOINWKGEGPDGL-UHFFFAOYSA-N
XLogP4.38
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 47142241
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353
[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949659
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 51327506
(4-bromopiperidin-1-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 80661462
1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172659354
1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931766
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 51327321
6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 51327441
2-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481433
6-hydroxy-4-methyl-3-[(4R)-4-phenylazepane-1-carbonyl]chromen-2-one
CID 99707180
[4-(4-hydroxyphenyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 51327495

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone (CID 78862494) is (4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone is Cc1oc(C)c(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1Br.
What is the InChIKey of (4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The InChIKey is XVOINWKGEGPDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-11-16(17(19)12(2)23-11)18(22)20-9-7-14(8-10-20)13-3-5-15(21)6-4-13/h3-6,14,21H,7-10H2,1-2H3.
What are the key properties of (4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
(4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone has a molecular weight of 378.27 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 78862494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).