1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one

C17H15F4N3O2 — CID 133372898

IUPAC1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one
SMILESCOc1cccc(N2CCCC(Nc3c(F)c(F)nc(F)c3F)C2=O)c1
InChIInChI=1S/C17H15F4N3O2/c1-26-10-5-2-4-9(8-10)24-7-3-6-11(17(24)25)22-14-12(18)15(20)23-16(21)13(14)19/h2,4-5,8,11H,3,6-7H2,1H3,(H,22,23)
InChIKeyLUXAMATXMPIROD-UHFFFAOYSA-N
MW369.32 g/mol
LogP3.25
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one

1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one (PubChem CID 133372898) has the molecular formula C17H15F4N3O2 and a molecular weight of 369.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one
PubChem CID133372898
Molecular FormulaC17H15F4N3O2
Molecular Weight369.32 g/mol
Exact Mass369.11
IUPAC Name1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one
SMILESCOc1cccc(N2CCCC(Nc3c(F)c(F)nc(F)c3F)C2=O)c1
InChIInChI=1S/C17H15F4N3O2/c1-26-10-5-2-4-9(8-10)24-7-3-6-11(17(24)25)22-14-12(18)15(20)23-16(21)13(14)19/h2,4-5,8,11H,3,6-7H2,1H3,(H,22,23)
InChIKeyLUXAMATXMPIROD-UHFFFAOYSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one
CID 99643162
(3S)-3-acetyl-1-(3-methoxyphenyl)piperidin-2-one
CID 125457892
(3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one
CID 97103214
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515859
3-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]-1-(4-methoxyphenyl)piperidin-2-one
CID 166384385
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one
CID 119133512
N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine
CID 133372597
1-(3-bromo-5-methoxyphenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 82860337
3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 126782574
1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one
CID 138042379

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one (CID 133372898) is 1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one is COc1cccc(N2CCCC(Nc3c(F)c(F)nc(F)c3F)C2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one?
The InChIKey is LUXAMATXMPIROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O2/c1-26-10-5-2-4-9(8-10)24-7-3-6-11(17(24)25)22-14-12(18)15(20)23-16(21)13(14)19/h2,4-5,8,11H,3,6-7H2,1H3,(H,22,23).
What are the key properties of 1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one?
1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one has a molecular weight of 369.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one is sourced from PubChem (CID 133372898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).