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

C11H16Cl2N2O2 — CID 119492575

IUPAC(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(Cl)o2)C1.Cl
InChIInChI=1S/C11H15ClN2O2.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
InChIKeyJSHUHZRQLUIMOG-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.18
Rot. Bonds2

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

(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119492575) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119492575
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(Cl)o2)C1.Cl
InChIInChI=1S/C11H15ClN2O2.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
InChIKeyJSHUHZRQLUIMOG-UHFFFAOYSA-N
XLogP2.18
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488242
(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868
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
methyl (3S)-1-(5-chlorofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919544
[5-(methoxymethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488456
3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81046996
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
[3-(methylamino)piperidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119492910
(5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 103725307
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119492575) is (5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2ccc(Cl)o2)C1.Cl.
What is the InChIKey of (5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is JSHUHZRQLUIMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2.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-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 279.17 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119492575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).