[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone

C12H15Br2NO2 — CID 106839225

IUPAC[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
SMILESCC(Br)C1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C12H15Br2NO2/c1-8(13)9-4-6-15(7-5-9)12(16)10-2-3-11(14)17-10/h2-3,8-9H,4-7H2,1H3
InChIKeyPUUMJMVKWHKGPC-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.68
Rot. Bonds2

About [4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone

[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone (PubChem CID 106839225) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is [4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
PubChem CID106839225
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
SMILESCC(Br)C1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C12H15Br2NO2/c1-8(13)9-4-6-15(7-5-9)12(16)10-2-3-11(14)17-10/h2-3,8-9H,4-7H2,1H3
InChIKeyPUUMJMVKWHKGPC-UHFFFAOYSA-N
XLogP3.68
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-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

(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
(5-bromofuran-2-yl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80678565
5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid
CID 113354315
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
CID 49008152
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
CID 86264212
[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride
CID 119520111
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]pentanamide
CID 108555501

Frequently Asked Questions

What is the IUPAC name of [4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone?
The IUPAC name of [4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone (CID 106839225) is [4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone.
What is the SMILES notation for [4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone?
The canonical SMILES for [4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone is CC(Br)C1CCN(C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of [4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone?
The InChIKey is PUUMJMVKWHKGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-8(13)9-4-6-15(7-5-9)12(16)10-2-3-11(14)17-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of [4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone?
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone has a molecular weight of 365.07 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone is sourced from PubChem (CID 106839225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).