2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide

C15H24F2N4O2 — CID 127267503

IUPAC2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
SMILESCOCCn1cc(NC(=O)CC2CCN(CC(F)F)CC2)cn1
InChIInChI=1S/C15H24F2N4O2/c1-23-7-6-21-10-13(9-18-21)19-15(22)8-12-2-4-20(5-3-12)11-14(16)17/h9-10,12,14H,2-8,11H2,1H3,(H,19,22)
InChIKeyALWCYQVVCSERBJ-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.84
Rot. Bonds8

About 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide

2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide (PubChem CID 127267503) has the molecular formula C15H24F2N4O2 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
PubChem CID127267503
Molecular FormulaC15H24F2N4O2
Molecular Weight330.38 g/mol
Exact Mass330.19
IUPAC Name2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
SMILESCOCCn1cc(NC(=O)CC2CCN(CC(F)F)CC2)cn1
InChIInChI=1S/C15H24F2N4O2/c1-23-7-6-21-10-13(9-18-21)19-15(22)8-12-2-4-20(5-3-12)11-14(16)17/h9-10,12,14H,2-8,11H2,1H3,(H,19,22)
InChIKeyALWCYQVVCSERBJ-UHFFFAOYSA-N
XLogP1.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide (CID 127267503) is 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide is COCCn1cc(NC(=O)CC2CCN(CC(F)F)CC2)cn1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide?
The InChIKey is ALWCYQVVCSERBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4O2/c1-23-7-6-21-10-13(9-18-21)19-15(22)8-12-2-4-20(5-3-12)11-14(16)17/h9-10,12,14H,2-8,11H2,1H3,(H,19,22).
What are the key properties of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide?
2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 127267503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).