1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one

C14H20F3N3O — CID 60944170

IUPAC1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
SMILESCCn1cc(NC2CCN(CC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C14H20F3N3O/c1-2-20-9-12(3-4-13(20)21)18-11-5-7-19(8-6-11)10-14(15,16)17/h3-4,9,11,18H,2,5-8,10H2,1H3
InChIKeyHIOZLQNMUNCMGQ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.31
Rot. Bonds4

About 1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one

1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one (PubChem CID 60944170) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
PubChem CID60944170
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
SMILESCCn1cc(NC2CCN(CC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C14H20F3N3O/c1-2-20-9-12(3-4-13(20)21)18-11-5-7-19(8-6-11)10-14(15,16)17/h3-4,9,11,18H,2,5-8,10H2,1H3
InChIKeyHIOZLQNMUNCMGQ-UHFFFAOYSA-N
XLogP2.31
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Piperidin-2-ylpropyl)pyridin-2-one
CID 44535154
1-(Piperidin-4-yl)-1,2-dihydropyridin-2-one dihydrochloride
CID 138991841
1-(Piperidin-4-yl)pyridin-2(1h)-one
CID 68690104
(2E)-N-methyl-4-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]penta-2,4-dienamide
CID 90245813
5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one
CID 130377235
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one (CID 60944170) is 1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one is CCn1cc(NC2CCN(CC(F)(F)F)CC2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one?
The InChIKey is HIOZLQNMUNCMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-20-9-12(3-4-13(20)21)18-11-5-7-19(8-6-11)10-14(15,16)17/h3-4,9,11,18H,2,5-8,10H2,1H3.
What are the key properties of 1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one?
1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one has a molecular weight of 303.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one is sourced from PubChem (CID 60944170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).