3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one

C12H19N3O — CID 83489575

IUPAC3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one
SMILESCN1CCC(n2cccc(CN)c2=O)CC1
InChIInChI=1S/C12H19N3O/c1-14-7-4-11(5-8-14)15-6-2-3-10(9-13)12(15)16/h2-3,6,11H,4-5,7-9,13H2,1H3
InChIKeyFUPWDJJKFRAWDZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.57
Rot. Bonds2

About 3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one

3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one (PubChem CID 83489575) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one
PubChem CID83489575
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one
SMILESCN1CCC(n2cccc(CN)c2=O)CC1
InChIInChI=1S/C12H19N3O/c1-14-7-4-11(5-8-14)15-6-2-3-10(9-13)12(15)16/h2-3,6,11H,4-5,7-9,13H2,1H3
InChIKeyFUPWDJJKFRAWDZ-UHFFFAOYSA-N
XLogP0.57
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72048283
6-methyl-N-(1-methylpiperidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 72048293
1-(Piperidin-4-yl)-1,2-dihydropyridin-2-one dihydrochloride
CID 138991841
Piperidinomethyl pyridone
CID 59117160
2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 30481294
3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 86287229
1-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 93613532
3-(3,5-Dimethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 121575874
N-cyclopentyl-N,1-dimethyl-2-oxopyridine-3-carboxamide
CID 136525314
1-(2-methylpropyl)-2-oxo-N-[(3S)-piperidin-3-yl]pyridine-3-carboxamide
CID 177658688
N-[(3S)-1-methylpiperidin-3-yl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 177663696
N-(1-methylpiperidin-4-yl)-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 177665074

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one (CID 83489575) is 3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one is CN1CCC(n2cccc(CN)c2=O)CC1.
What is the InChIKey of 3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one?
The InChIKey is FUPWDJJKFRAWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-7-4-11(5-8-14)15-6-2-3-10(9-13)12(15)16/h2-3,6,11H,4-5,7-9,13H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one?
3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one has a molecular weight of 221.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyridin-2-one is sourced from PubChem (CID 83489575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).