3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C13H19N3O2 — CID 125134550

IUPAC3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cccc(C(=O)N2CCCC[C@@H]2CN)c1=O
InChIInChI=1S/C13H19N3O2/c1-15-7-4-6-11(12(15)17)13(18)16-8-3-2-5-10(16)9-14/h4,6-7,10H,2-3,5,8-9,14H2,1H3/t10-/m1/s1
InChIKeyFGSDFVCHHCMUNT-SNVBAGLBSA-N
MW249.31 g/mol
LogP0.34
Rot. Bonds2

About 3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 125134550) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID125134550
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cccc(C(=O)N2CCCC[C@@H]2CN)c1=O
InChIInChI=1S/C13H19N3O2/c1-15-7-4-6-11(12(15)17)13(18)16-8-3-2-5-10(16)9-14/h4,6-7,10H,2-3,5,8-9,14H2,1H3/t10-/m1/s1
InChIKeyFGSDFVCHHCMUNT-SNVBAGLBSA-N
XLogP0.34
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513776
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 119260194
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
[2-(aminomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119469424
[2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610133
[2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119469360
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(aminomethyl)piperidin-1-yl]-(2-iodo-5-methylphenyl)methanone;hydrochloride
CID 119467434

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 125134550) is 3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1cccc(C(=O)N2CCCC[C@@H]2CN)c1=O.
What is the InChIKey of 3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is FGSDFVCHHCMUNT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-7-4-6-11(12(15)17)13(18)16-8-3-2-5-10(16)9-14/h4,6-7,10H,2-3,5,8-9,14H2,1H3/t10-/m1/s1.
What are the key properties of 3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 125134550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).