[3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone

C16H16BrNO2 — CID 84609797

IUPAC[3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCC(c2cccc(Br)c2)C1
InChIInChI=1S/C16H16BrNO2/c17-14-6-1-4-12(10-14)13-5-2-8-18(11-13)16(19)15-7-3-9-20-15/h1,3-4,6-7,9-10,13H,2,5,8,11H2
InChIKeyDVYCWFNOXHYGJF-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.06
Rot. Bonds2

About [3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone

[3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 84609797) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is [3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID84609797
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name[3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCC(c2cccc(Br)c2)C1
InChIInChI=1S/C16H16BrNO2/c17-14-6-1-4-12(10-14)13-5-2-8-18(11-13)16(19)15-7-3-9-20-15/h1,3-4,6-7,9-10,13H,2,5,8,11H2
InChIKeyDVYCWFNOXHYGJF-UHFFFAOYSA-N
XLogP4.06
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 4742822
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 95777767
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42895769
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 113088821
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 56728046

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone (CID 84609797) is [3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCCC(c2cccc(Br)c2)C1.
What is the InChIKey of [3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is DVYCWFNOXHYGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-14-6-1-4-12(10-14)13-5-2-8-18(11-13)16(19)15-7-3-9-20-15/h1,3-4,6-7,9-10,13H,2,5,8,11H2.
What are the key properties of [3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone?
[3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 334.21 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 84609797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).