N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

C17H23F4N3O3 — CID 146402389

IUPACN-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)[C@@H](F)C1
InChIInChI=1S/C17H23F4N3O3/c1-16(2,15(25)23-12-6-8-24(3)9-11(12)18)10-26-14-13(5-4-7-22-14)27-17(19,20)21/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,23,25)/t11-,12-/m0/s1
InChIKeyQFJQEUVZQIIGAM-RYUDHWBXSA-N
MW393.38 g/mol
LogP2.54
Rot. Bonds6

About N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146402389) has the molecular formula C17H23F4N3O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID146402389
Molecular FormulaC17H23F4N3O3
Molecular Weight393.38 g/mol
Exact Mass393.17
IUPAC NameN-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)[C@@H](F)C1
InChIInChI=1S/C17H23F4N3O3/c1-16(2,15(25)23-12-6-8-24(3)9-11(12)18)10-26-14-13(5-4-7-22-14)27-17(19,20)21/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,23,25)/t11-,12-/m0/s1
InChIKeyQFJQEUVZQIIGAM-RYUDHWBXSA-N
XLogP2.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-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-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146402389) is N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is CN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)[C@@H](F)C1.
What is the InChIKey of N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is QFJQEUVZQIIGAM-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H23F4N3O3/c1-16(2,15(25)23-12-6-8-24(3)9-11(12)18)10-26-14-13(5-4-7-22-14)27-17(19,20)21/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,23,25)/t11-,12-/m0/s1.
What are the key properties of N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 393.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).