3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide

C19H28FN3O2 — CID 146401972

IUPAC3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide
SMILESCN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2C2CC2)[C@@H](F)C1
InChIInChI=1S/C19H28FN3O2/c1-19(2,18(24)22-16-8-10-23(3)11-15(16)20)12-25-17-14(13-6-7-13)5-4-9-21-17/h4-5,9,13,15-16H,6-8,10-12H2,1-3H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyFLKRDBHIESEKER-HOTGVXAUSA-N
MW349.45 g/mol
LogP2.52
Rot. Bonds6

About 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide

3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 146401972) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID146401972
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide
SMILESCN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2C2CC2)[C@@H](F)C1
InChIInChI=1S/C19H28FN3O2/c1-19(2,18(24)22-16-8-10-23(3)11-15(16)20)12-25-17-14(13-6-7-13)5-4-9-21-17/h4-5,9,13,15-16H,6-8,10-12H2,1-3H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyFLKRDBHIESEKER-HOTGVXAUSA-N
XLogP2.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide (CID 146401972) is 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide is CN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2C2CC2)[C@@H](F)C1.
What is the InChIKey of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is FLKRDBHIESEKER-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-19(2,18(24)22-16-8-10-23(3)11-15(16)20)12-25-17-14(13-6-7-13)5-4-9-21-17/h4-5,9,13,15-16H,6-8,10-12H2,1-3H3,(H,22,24)/t15-,16-/m0/s1.
What are the key properties of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide?
3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 349.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 146401972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).