(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone

C11H13BrClNO2 — CID 106856247

IUPAC(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccoc2Br)CC1Cl
InChIInChI=1S/C11H13BrClNO2/c1-7-2-4-14(6-9(7)13)11(15)8-3-5-16-10(8)12/h3,5,7,9H,2,4,6H2,1H3
InChIKeyQJIPSTVQIFBEGK-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.13
Rot. Bonds1

About (2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone

(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone (PubChem CID 106856247) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone
PubChem CID106856247
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccoc2Br)CC1Cl
InChIInChI=1S/C11H13BrClNO2/c1-7-2-4-14(6-9(7)13)11(15)8-3-5-16-10(8)12/h3,5,7,9H,2,4,6H2,1H3
InChIKeyQJIPSTVQIFBEGK-UHFFFAOYSA-N
XLogP3.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
CID 106856052
(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 106854462
(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 106852967
(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
CID 131196683
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
(3-chloro-4-methylpiperidin-1-yl)-(2-iodophenyl)methanone
CID 102961362
1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile
CID 106852138
(2-bromofuran-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 106853961
1-(2-bromofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106851047
(3-chloro-4-methylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 102961379
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 106853840

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone (CID 106856247) is (2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccoc2Br)CC1Cl.
What is the InChIKey of (2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone?
The InChIKey is QJIPSTVQIFBEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7-2-4-14(6-9(7)13)11(15)8-3-5-16-10(8)12/h3,5,7,9H,2,4,6H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone?
(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone has a molecular weight of 306.59 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 106856247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).