6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride

C17H22ClN3O3 — CID 119395633

IUPAC6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1.Cl
InChIInChI=1S/C17H21N3O3.ClH/c1-18-10-12-4-2-8-20(11-12)17(22)13-6-7-14(19-16(13)21)15-5-3-9-23-15;/h3,5-7,9,12,18H,2,4,8,10-11H2,1H3,(H,19,21);1H
InChIKeyZLDREUFLXLYKDC-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.13
Rot. Bonds4

About 6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride

6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride (PubChem CID 119395633) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
PubChem CID119395633
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1.Cl
InChIInChI=1S/C17H21N3O3.ClH/c1-18-10-12-4-2-8-20(11-12)17(22)13-6-7-14(19-16(13)21)15-5-3-9-23-15;/h3,5-7,9,12,18H,2,4,8,10-11H2,1H3,(H,19,21);1H
InChIKeyZLDREUFLXLYKDC-UHFFFAOYSA-N
XLogP2.13
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541109
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119394838
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 106688448
(2-hydroxy-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205284
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
CID 119466891
(2-fluoro-4-methylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397919
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride (CID 119395633) is 6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride is CNCC1CCCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1.Cl.
What is the InChIKey of 6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride?
The InChIKey is ZLDREUFLXLYKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.ClH/c1-18-10-12-4-2-8-20(11-12)17(22)13-6-7-14(19-16(13)21)15-5-3-9-23-15;/h3,5-7,9,12,18H,2,4,8,10-11H2,1H3,(H,19,21);1H.
What are the key properties of 6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride?
6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 119395633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).