5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one

C12H17F2N3O — CID 130377235

IUPAC5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one
SMILESO=c1ccc(NCCN2CCC(F)(F)CC2)c[nH]1
InChIInChI=1S/C12H17F2N3O/c13-12(14)3-6-17(7-4-12)8-5-15-10-1-2-11(18)16-9-10/h1-2,9,15H,3-8H2,(H,16,18)
InChIKeyTWZMEDMNKCKZHI-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.52
Rot. Bonds4

About 5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one

5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one (PubChem CID 130377235) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one
PubChem CID130377235
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one
SMILESO=c1ccc(NCCN2CCC(F)(F)CC2)c[nH]1
InChIInChI=1S/C12H17F2N3O/c13-12(14)3-6-17(7-4-12)8-5-15-10-1-2-11(18)16-9-10/h1-2,9,15H,3-8H2,(H,16,18)
InChIKeyTWZMEDMNKCKZHI-UHFFFAOYSA-N
XLogP1.52
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45807140
5-(piperazin-1-yl)pyridin-2(1H)-one
CID 77231103
5-Fluoro-1-(1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449036
1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449077
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449078
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449097
1-[1-(2-Fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449100
1-[1-(2-Fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449107
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
1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449525
1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449526

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one?
The IUPAC name of 5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one (CID 130377235) is 5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one is O=c1ccc(NCCN2CCC(F)(F)CC2)c[nH]1.
What is the InChIKey of 5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one?
The InChIKey is TWZMEDMNKCKZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c13-12(14)3-6-17(7-4-12)8-5-15-10-1-2-11(18)16-9-10/h1-2,9,15H,3-8H2,(H,16,18).
What are the key properties of 5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one?
5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one has a molecular weight of 257.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one is sourced from PubChem (CID 130377235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).