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

C16H20ClN3O3 — CID 119466891

IUPAC3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C16H19N3O3.ClH/c17-10-11-4-1-2-8-19(11)16(21)12-6-7-13(18-15(12)20)14-5-3-9-22-14;/h3,5-7,9,11H,1-2,4,8,10,17H2,(H,18,20);1H
InChIKeyIJNODWNGOMMXQH-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.01
Rot. Bonds3

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

3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride (PubChem CID 119466891) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
PubChem CID119466891
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C16H19N3O3.ClH/c17-10-11-4-1-2-8-19(11)16(21)12-6-7-13(18-15(12)20)14-5-3-9-22-14;/h3,5-7,9,11H,1-2,4,8,10,17H2,(H,18,20);1H
InChIKeyIJNODWNGOMMXQH-UHFFFAOYSA-N
XLogP2.01
TPSA92.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95977327
3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95977450
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 119410087
6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95337509
6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
CID 119395633
3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95967541
[2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride
CID 119467848
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
CID 120741124
3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 125134550
[2-(aminomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone;hydrochloride
CID 119467572

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride (CID 119466891) is 3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride is Cl.NCC1CCCCN1C(=O)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride?
The InChIKey is IJNODWNGOMMXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c17-10-11-4-1-2-8-19(11)16(21)12-6-7-13(18-15(12)20)14-5-3-9-22-14;/h3,5-7,9,11H,1-2,4,8,10,17H2,(H,18,20);1H.
What are the key properties of 3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride?
3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 119466891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).