N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide

C14H17F4N3O — CID 145136530

IUPACN-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide
SMILESO=CNCc1cc(C2CCN(CC(F)(F)F)CC2)ncc1F
InChIInChI=1S/C14H17F4N3O/c15-12-7-20-13(5-11(12)6-19-9-22)10-1-3-21(4-2-10)8-14(16,17)18/h5,7,9-10H,1-4,6,8H2,(H,19,22)
InChIKeyISQAYZIACGDALI-UHFFFAOYSA-N
MW319.30 g/mol
LogP2.21
Rot. Bonds5

About N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide

N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide (PubChem CID 145136530) has the molecular formula C14H17F4N3O and a molecular weight of 319.30 g/mol. Its IUPAC name is N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide.

Molecular Properties

Compound NameN-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide
PubChem CID145136530
Molecular FormulaC14H17F4N3O
Molecular Weight319.30 g/mol
Exact Mass319.13
IUPAC NameN-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide
SMILESO=CNCc1cc(C2CCN(CC(F)(F)F)CC2)ncc1F
InChIInChI=1S/C14H17F4N3O/c15-12-7-20-13(5-11(12)6-19-9-22)10-1-3-21(4-2-10)8-14(16,17)18/h5,7,9-10H,1-4,6,8H2,(H,19,22)
InChIKeyISQAYZIACGDALI-UHFFFAOYSA-N
XLogP2.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(3,3,3-trifluoropropyl)phenyl]methyl]urea
CID 168275156
N-methyl-N-[3-phenyl-3-(pyridin-2-yl)propyl]formamide
CID 133052758
4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11371933
N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide
CID 46944010
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
CID 44387749
[2-Pyridin-3-yl-6-(trifluoromethyl)pyridin-4-yl]methanamine
CID 122516916
2-[(Piperidin-4-yl)methyl]pyridine
CID 3800620
4,4,4-Trifluoro-1-[4-(3-fluoro-4-pyridyl)-1-piperidyl]butan-1-one
CID 137499994
4,4,4-Trifluoro-1-[4-fluoro-4-[4-(trifluoromethyl)-2-pyridyl]-1-piperidyl]butan-1-one
CID 137500377
4,4,4-Trifluoro-1-[4-(6-fluoro-3-pyridyl)-1-piperidyl]butan-1-one
CID 137500413
4,4,4-Trifluoro-1-[4-(2-methyl-4-pyridyl)-1-piperidyl]butan-1-one
CID 137500433
1-[4-(3,5-Difluoro-2-pyridyl)-1-piperidyl]-4,4,4-trifluoro-butan-1-one
CID 137500468

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide?
The IUPAC name of N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide (CID 145136530) is N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide.
What is the SMILES notation for N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide?
The canonical SMILES for N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide is O=CNCc1cc(C2CCN(CC(F)(F)F)CC2)ncc1F.
What is the InChIKey of N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide?
The InChIKey is ISQAYZIACGDALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N3O/c15-12-7-20-13(5-11(12)6-19-9-22)10-1-3-21(4-2-10)8-14(16,17)18/h5,7,9-10H,1-4,6,8H2,(H,19,22).
What are the key properties of N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide?
N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide has a molecular weight of 319.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide is sourced from PubChem (CID 145136530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).