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

C16H21F4N3O2 — CID 146401848

IUPACN-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCC(C)(COc1ncccc1C(F)(F)F)C(=O)N[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C16H21F4N3O2/c1-15(2,14(24)23-12-5-7-21-8-11(12)17)9-25-13-10(16(18,19)20)4-3-6-22-13/h3-4,6,11-12,21H,5,7-9H2,1-2H3,(H,23,24)/t11-,12-/m0/s1
InChIKeyXTVCSUYQSPGZIT-RYUDHWBXSA-N
MW363.36 g/mol
LogP2.32
Rot. Bonds5

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

N-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146401848) has the molecular formula C16H21F4N3O2 and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146401848
Molecular FormulaC16H21F4N3O2
Molecular Weight363.36 g/mol
Exact Mass363.16
IUPAC NameN-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCC(C)(COc1ncccc1C(F)(F)F)C(=O)N[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C16H21F4N3O2/c1-15(2,14(24)23-12-5-7-21-8-11(12)17)9-25-13-10(16(18,19)20)4-3-6-22-13/h3-4,6,11-12,21H,5,7-9H2,1-2H3,(H,23,24)/t11-,12-/m0/s1
InChIKeyXTVCSUYQSPGZIT-RYUDHWBXSA-N
XLogP2.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146401848) is N-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CC(C)(COc1ncccc1C(F)(F)F)C(=O)N[C@H]1CCNC[C@@H]1F.
What is the InChIKey of N-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is XTVCSUYQSPGZIT-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H21F4N3O2/c1-15(2,14(24)23-12-5-7-21-8-11(12)17)9-25-13-10(16(18,19)20)4-3-6-22-13/h3-4,6,11-12,21H,5,7-9H2,1-2H3,(H,23,24)/t11-,12-/m0/s1.
What are the key properties of N-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 363.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-fluoropiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).