4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride

C13H20ClN3O2 — CID 119260194

IUPAC4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1ccc(C(=O)N2CCCCC2CN)cc1=O
InChIInChI=1S/C13H19N3O2.ClH/c1-15-7-5-10(8-12(15)17)13(18)16-6-3-2-4-11(16)9-14;/h5,7-8,11H,2-4,6,9,14H2,1H3;1H
InChIKeyAKBUNNDYKNVGTP-UHFFFAOYSA-N
MW285.77 g/mol
LogP0.76
Rot. Bonds2

About 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride

4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride (PubChem CID 119260194) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
PubChem CID119260194
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1ccc(C(=O)N2CCCCC2CN)cc1=O
InChIInChI=1S/C13H19N3O2.ClH/c1-15-7-5-10(8-12(15)17)13(18)16-6-3-2-4-11(16)9-14;/h5,7-8,11H,2-4,6,9,14H2,1H3;1H
InChIKeyAKBUNNDYKNVGTP-UHFFFAOYSA-N
XLogP0.76
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95602712
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 119467995
1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 43356068
1-methyl-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridin-2-one
CID 95315079
1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 94616102
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 167791427
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 125134550
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride?
The IUPAC name of 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride (CID 119260194) is 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride.
What is the SMILES notation for 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride?
The canonical SMILES for 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride is Cl.Cn1ccc(C(=O)N2CCCCC2CN)cc1=O.
What is the InChIKey of 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride?
The InChIKey is AKBUNNDYKNVGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-15-7-5-10(8-12(15)17)13(18)16-6-3-2-4-11(16)9-14;/h5,7-8,11H,2-4,6,9,14H2,1H3;1H.
What are the key properties of 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride?
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride is sourced from PubChem (CID 119260194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).