3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide

C18H28FN3O2 — CID 146401893

IUPAC3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide
SMILESCc1cnc(OCC(C)(C)C(=O)N[C@H]2CCN(C)C[C@@H]2F)c(C)c1
InChIInChI=1S/C18H28FN3O2/c1-12-8-13(2)16(20-9-12)24-11-18(3,4)17(23)21-15-6-7-22(5)10-14(15)19/h8-9,14-15H,6-7,10-11H2,1-5H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyBBFCXHVUXJLEOF-GJZGRUSLSA-N
MW337.44 g/mol
LogP2.26
Rot. Bonds5

About 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide

3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 146401893) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID146401893
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide
SMILESCc1cnc(OCC(C)(C)C(=O)N[C@H]2CCN(C)C[C@@H]2F)c(C)c1
InChIInChI=1S/C18H28FN3O2/c1-12-8-13(2)16(20-9-12)24-11-18(3,4)17(23)21-15-6-7-22(5)10-14(15)19/h8-9,14-15H,6-7,10-11H2,1-5H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyBBFCXHVUXJLEOF-GJZGRUSLSA-N
XLogP2.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide (CID 146401893) is 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide is Cc1cnc(OCC(C)(C)C(=O)N[C@H]2CCN(C)C[C@@H]2F)c(C)c1.
What is the InChIKey of 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is BBFCXHVUXJLEOF-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-12-8-13(2)16(20-9-12)24-11-18(3,4)17(23)21-15-6-7-22(5)10-14(15)19/h8-9,14-15H,6-7,10-11H2,1-5H3,(H,21,23)/t14-,15-/m0/s1.
What are the key properties of 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide?
3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 337.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 146401893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).