N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C17H23F4N3O2 — CID 146401890

IUPACN-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCN(C(=O)C(C)(C)COc1ncccc1C(F)(F)F)[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C17H23F4N3O2/c1-16(2,15(25)24(3)13-6-8-22-9-12(13)18)10-26-14-11(17(19,20)21)5-4-7-23-14/h4-5,7,12-13,22H,6,8-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyOCIKHKHPCAKTGU-STQMWFEESA-N
MW377.38 g/mol
LogP2.66
Rot. Bonds5

About N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146401890) has the molecular formula C17H23F4N3O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146401890
Molecular FormulaC17H23F4N3O2
Molecular Weight377.38 g/mol
Exact Mass377.17
IUPAC NameN-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCN(C(=O)C(C)(C)COc1ncccc1C(F)(F)F)[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C17H23F4N3O2/c1-16(2,15(25)24(3)13-6-8-22-9-12(13)18)10-26-14-11(17(19,20)21)5-4-7-23-14/h4-5,7,12-13,22H,6,8-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyOCIKHKHPCAKTGU-STQMWFEESA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146401890) is N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CN(C(=O)C(C)(C)COc1ncccc1C(F)(F)F)[C@H]1CCNC[C@@H]1F.
What is the InChIKey of N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is OCIKHKHPCAKTGU-STQMWFEESA-N. The full InChI is InChI=1S/C17H23F4N3O2/c1-16(2,15(25)24(3)13-6-8-22-9-12(13)18)10-26-14-11(17(19,20)21)5-4-7-23-14/h4-5,7,12-13,22H,6,8-10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 377.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-fluoropiperidin-4-yl]-N,2,2-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).