[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone

C12H17BrN2O3 — CID 106855210

IUPAC[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone
SMILESCOC1CCN(C(=O)c2ccoc2Br)C(CN)C1
InChIInChI=1S/C12H17BrN2O3/c1-17-9-2-4-15(8(6-9)7-14)12(16)10-3-5-18-11(10)13/h3,5,8-9H,2,4,6-7,14H2,1H3
InChIKeyNAFKKXNEQWDCEA-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.62
Rot. Bonds3

About [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone (PubChem CID 106855210) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone
PubChem CID106855210
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone
SMILESCOC1CCN(C(=O)c2ccoc2Br)C(CN)C1
InChIInChI=1S/C12H17BrN2O3/c1-17-9-2-4-15(8(6-9)7-14)12(16)10-3-5-18-11(10)13/h3,5,8-9H,2,4,6-7,14H2,1H3
InChIKeyNAFKKXNEQWDCEA-UHFFFAOYSA-N
XLogP1.62
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-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-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone
CID 106855238
(2-bromofuran-3-yl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985269
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 115963358
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-bromothiophen-2-yl)methanone
CID 112622357
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 115963362
(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 106854462
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119033810
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 115963326
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671747
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112622381
[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 99714903

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone (CID 106855210) is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone is COC1CCN(C(=O)c2ccoc2Br)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone?
The InChIKey is NAFKKXNEQWDCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-17-9-2-4-15(8(6-9)7-14)12(16)10-3-5-18-11(10)13/h3,5,8-9H,2,4,6-7,14H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone?
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone has a molecular weight of 317.18 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone is sourced from PubChem (CID 106855210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).