2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide

C15H19F4N3O2 — CID 171787046

IUPAC2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
SMILESO=C(CN1CCC[C@H](F)C1)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C15H19F4N3O2/c16-12-2-1-5-22(8-12)9-13(23)21-7-11-3-4-20-14(6-11)24-10-15(17,18)19/h3-4,6,12H,1-2,5,7-10H2,(H,21,23)/t12-/m0/s1
InChIKeyRVXVPTHVROMAKL-LBPRGKRZSA-N
MW349.33 g/mol
LogP2.07
Rot. Bonds6

About 2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide

2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide (PubChem CID 171787046) has the molecular formula C15H19F4N3O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is 2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
PubChem CID171787046
Molecular FormulaC15H19F4N3O2
Molecular Weight349.33 g/mol
Exact Mass349.14
IUPAC Name2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
SMILESO=C(CN1CCC[C@H](F)C1)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C15H19F4N3O2/c16-12-2-1-5-22(8-12)9-13(23)21-7-11-3-4-20-14(6-11)24-10-15(17,18)19/h3-4,6,12H,1-2,5,7-10H2,(H,21,23)/t12-/m0/s1
InChIKeyRVXVPTHVROMAKL-LBPRGKRZSA-N
XLogP2.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787086
2-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 110014086
1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide
CID 55689268
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787055
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 119847050
(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
CID 95287089
1-(1-bicyclo[1.1.1]pentanyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 162524382
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 55858679

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide (CID 171787046) is 2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide is O=C(CN1CCC[C@H](F)C1)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The InChIKey is RVXVPTHVROMAKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19F4N3O2/c16-12-2-1-5-22(8-12)9-13(23)21-7-11-3-4-20-14(6-11)24-10-15(17,18)19/h3-4,6,12H,1-2,5,7-10H2,(H,21,23)/t12-/m0/s1.
What are the key properties of 2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide has a molecular weight of 349.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 171787046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).