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

C12H17F2N3O — CID 156737846

IUPAC3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one
SMILESCN1CCC(n2cccc(CN)c2=O)C(F)(F)C1
InChIInChI=1S/C12H17F2N3O/c1-16-6-4-10(12(13,14)8-16)17-5-2-3-9(7-15)11(17)18/h2-3,5,10H,4,6-8,15H2,1H3
InChIKeyCPAVDRVDECGAEH-UHFFFAOYSA-N
MW257.28 g/mol
LogP0.82
Rot. Bonds2

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

3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one (PubChem CID 156737846) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one
PubChem CID156737846
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one
SMILESCN1CCC(n2cccc(CN)c2=O)C(F)(F)C1
InChIInChI=1S/C12H17F2N3O/c1-16-6-4-10(12(13,14)8-16)17-5-2-3-9(7-15)11(17)18/h2-3,5,10H,4,6-8,15H2,1H3
InChIKeyCPAVDRVDECGAEH-UHFFFAOYSA-N
XLogP0.82
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Piperidinomethyl pyridone
CID 59117160
1-(2-methylpropyl)-2-oxo-N-[(3S)-piperidin-3-yl]pyridine-3-carboxamide
CID 177658688
N-(1-methylpiperidin-4-yl)-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 177665074
1-(2-methylpropyl)-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
CID 177665727
1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide
CID 66910956
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449097
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449496
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-3-(methylamino)pyridin-2-one
CID 137449499
3-Amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one
CID 137450871
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457237
1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457655
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457659

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one (CID 156737846) is 3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one is CN1CCC(n2cccc(CN)c2=O)C(F)(F)C1.
What is the InChIKey of 3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one?
The InChIKey is CPAVDRVDECGAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-16-6-4-10(12(13,14)8-16)17-5-2-3-9(7-15)11(17)18/h2-3,5,10H,4,6-8,15H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one?
3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one has a molecular weight of 257.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one is sourced from PubChem (CID 156737846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).