(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone

C11H14BrNO2 — CID 80661568

IUPAC(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(Br)CC2)o1
InChIInChI=1S/C11H14BrNO2/c1-8-2-3-10(15-8)11(14)13-6-4-9(12)5-7-13/h2-3,9H,4-7H2,1H3
InChIKeyJODZHJGGYWJPDP-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.59
Rot. Bonds1

About (4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone

(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 80661568) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is (4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
PubChem CID80661568
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(Br)CC2)o1
InChIInChI=1S/C11H14BrNO2/c1-8-2-3-10(15-8)11(14)13-6-4-9(12)5-7-13/h2-3,9H,4-7H2,1H3
InChIKeyJODZHJGGYWJPDP-UHFFFAOYSA-N
XLogP2.59
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
(3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 108730619
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 95758944
[3-(bromomethyl)azetidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 130531455
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 114801301
(2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
CID 128979440
(4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 46550663
1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one
CID 130884488
[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251608
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 33184078
(4-bromopiperidin-1-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 80661462
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471

Frequently Asked Questions

What is the IUPAC name of (4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone (CID 80661568) is (4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCC(Br)CC2)o1.
What is the InChIKey of (4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is JODZHJGGYWJPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8-2-3-10(15-8)11(14)13-6-4-9(12)5-7-13/h2-3,9H,4-7H2,1H3.
What are the key properties of (4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone?
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 272.14 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 80661568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).