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

C11H16BrClN2O2 — CID 119560231

IUPAC(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(Br)o2)CC1.Cl
InChIInChI=1S/C11H15BrN2O2.ClH/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;1H
InChIKeyGPCXDWBBUFYQAG-UHFFFAOYSA-N
MW323.62 g/mol
LogP2.29
Rot. Bonds2

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

(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119560231) has the molecular formula C11H16BrClN2O2 and a molecular weight of 323.62 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119560231
Molecular FormulaC11H16BrClN2O2
Molecular Weight323.62 g/mol
Exact Mass322.01
IUPAC Name(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(Br)o2)CC1.Cl
InChIInChI=1S/C11H15BrN2O2.ClH/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;1H
InChIKeyGPCXDWBBUFYQAG-UHFFFAOYSA-N
XLogP2.29
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
(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
[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119561915
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

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119560231) is (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2ccc(Br)o2)CC1.Cl.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is GPCXDWBBUFYQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2.ClH/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;1H.
What are the key properties of (5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 323.62 g/mol, XLogP of 2.29, 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;hydrochloride is sourced from PubChem (CID 119560231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).