2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide

C22H24F3N3O2 — CID 163238267

IUPAC2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide
SMILESC=C(C)C1CN(C(C)C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)CCC1(F)F
InChIInChI=1S/C22H24F3N3O2/c1-14(2)19-13-28(11-10-22(19,24)25)15(3)21(29)27-20-9-8-18(12-26-20)30-17-6-4-16(23)5-7-17/h4-9,12,15,19H,1,10-11,13H2,2-3H3,(H,26,27,29)
InChIKeyLNVZPJDOSDGIFH-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.87
Rot. Bonds6

About 2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide

2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide (PubChem CID 163238267) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide
PubChem CID163238267
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide
SMILESC=C(C)C1CN(C(C)C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)CCC1(F)F
InChIInChI=1S/C22H24F3N3O2/c1-14(2)19-13-28(11-10-22(19,24)25)15(3)21(29)27-20-9-8-18(12-26-20)30-17-6-4-16(23)5-7-17/h4-9,12,15,19H,1,10-11,13H2,2-3H3,(H,26,27,29)
InChIKeyLNVZPJDOSDGIFH-UHFFFAOYSA-N
XLogP4.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4,4-difluoro-3-[2-(hydroxymethyl)-1-oxidopyridin-1-ium-4-yl]piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide
CID 174231012
(2S)-2-[(3S)-4,4-difluoro-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 164734840
2-[3-[5-[(1S)-1-amino-1,2,2-trifluoroethyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide
CID 175468582
2-[4,4-difluoro-3-[5-(4-methoxybutyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide
CID 164958147
(2S)-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]-N-[5-(2,4,5-trifluorophenoxy)-2-pyridinyl]propanamide
CID 174231180
2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(3,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 174230805
2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide
CID 175468311
4-[(3S)-1-[(2S)-1-[[5-(2,4-difluorophenoxy)-2-pyridinyl]amino]-1-oxopropan-2-yl]-4,4-difluoropiperidin-3-yl]pyridine-2-carboxamide
CID 164734918
2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[2-[(dimethylamino)methyl]-4-fluorophenoxy]-2-pyridinyl]propanamide
CID 174230928
(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[2-[(dimethylamino)methyl]-4-fluorophenoxy]-2-pyridinyl]propanamide
CID 163238304
2-[4,4-difluoro-3-[5-(methylaminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 174230826
N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174230866

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide?
The IUPAC name of 2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide (CID 163238267) is 2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide is C=C(C)C1CN(C(C)C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)CCC1(F)F.
What is the InChIKey of 2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide?
The InChIKey is LNVZPJDOSDGIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-14(2)19-13-28(11-10-22(19,24)25)15(3)21(29)27-20-9-8-18(12-26-20)30-17-6-4-16(23)5-7-17/h4-9,12,15,19H,1,10-11,13H2,2-3H3,(H,26,27,29).
What are the key properties of 2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide?
2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide has a molecular weight of 419.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide is sourced from PubChem (CID 163238267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).