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

C11H15BrN2O2 — CID 119560232

IUPAC(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C11H15BrN2O2/c1-13-8-4-6-14(7-5-8)11(15)9-2-3-10(12)16-9/h2-3,8,13H,4-7H2,1H3
InChIKeyWLXYAVFWHJPDOK-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.87
Rot. Bonds2

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

(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119560232) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119560232
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C11H15BrN2O2/c1-13-8-4-6-14(7-5-8)11(15)9-2-3-10(12)16-9/h2-3,8,13H,4-7H2,1H3
InChIKeyWLXYAVFWHJPDOK-UHFFFAOYSA-N
XLogP1.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
(5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488242
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]pentanamide
CID 108555501
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 106839225
(5-bromofuran-2-yl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80678565
[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551489
ethyl 4-[[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 108564540
(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
CID 86264212
(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
CID 49008152

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119560232) is (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is WLXYAVFWHJPDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-13-8-4-6-14(7-5-8)11(15)9-2-3-10(12)16-9/h2-3,8,13H,4-7H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 287.16 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119560232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).