3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide

C16H27FN4O2 — CID 167810626

IUPAC3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide
SMILESCOCCn1nc(C)c(CNC(=O)N2CCCC(C)(F)C2)c1C
InChIInChI=1S/C16H27FN4O2/c1-12-14(13(2)21(19-12)8-9-23-4)10-18-15(22)20-7-5-6-16(3,17)11-20/h5-11H2,1-4H3,(H,18,22)
InChIKeyXXWHKMLHYFBQDM-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.18
Rot. Bonds5

About 3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide

3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide (PubChem CID 167810626) has the molecular formula C16H27FN4O2 and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide
PubChem CID167810626
Molecular FormulaC16H27FN4O2
Molecular Weight326.42 g/mol
Exact Mass326.21
IUPAC Name3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide
SMILESCOCCn1nc(C)c(CNC(=O)N2CCCC(C)(F)C2)c1C
InChIInChI=1S/C16H27FN4O2/c1-12-14(13(2)21(19-12)8-9-23-4)10-18-15(22)20-7-5-6-16(3,17)11-20/h5-11H2,1-4H3,(H,18,22)
InChIKeyXXWHKMLHYFBQDM-UHFFFAOYSA-N
XLogP2.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide (CID 167810626) is 3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide is COCCn1nc(C)c(CNC(=O)N2CCCC(C)(F)C2)c1C.
What is the InChIKey of 3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is XXWHKMLHYFBQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN4O2/c1-12-14(13(2)21(19-12)8-9-23-4)10-18-15(22)20-7-5-6-16(3,17)11-20/h5-11H2,1-4H3,(H,18,22).
What are the key properties of 3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide?
3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 167810626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).