(5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C11H16BrClN2O2 — CID 119488242

IUPAC(5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(Br)o2)C1.Cl
InChIInChI=1S/C11H15BrN2O2.ClH/c1-13-8-3-2-6-14(7-8)11(15)9-4-5-10(12)16-9;/h4-5,8,13H,2-3,6-7H2,1H3;1H
InChIKeyFVMYYRCVWFSTSD-UHFFFAOYSA-N
MW323.62 g/mol
LogP2.29
Rot. Bonds2

About (5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

(5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119488242) has the molecular formula C11H16BrClN2O2 and a molecular weight of 323.62 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119488242
Molecular FormulaC11H16BrClN2O2
Molecular Weight323.62 g/mol
Exact Mass322.01
IUPAC Name(5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(Br)o2)C1.Cl
InChIInChI=1S/C11H15BrN2O2.ClH/c1-13-8-3-2-6-14(7-8)11(15)9-4-5-10(12)16-9;/h4-5,8,13H,2-3,6-7H2,1H3;1H
InChIKeyFVMYYRCVWFSTSD-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-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492575
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-2-sulfonamide
CID 119493697
[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
CID 119489082
[5-(methoxymethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488456
(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone
CID 163346718
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
CID 86264212
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119488242) is (5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2ccc(Br)o2)C1.Cl.
What is the InChIKey of (5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is FVMYYRCVWFSTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2.ClH/c1-13-8-3-2-6-14(7-8)11(15)9-4-5-10(12)16-9;/h4-5,8,13H,2-3,6-7H2,1H3;1H.
What are the key properties of (5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(5-bromofuran-2-yl)-[3-(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)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119488242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).