2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone

C15H16F2N4O — CID 75389333

IUPAC2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone
SMILESO=C(N1CCC(n2cccn2)CC1)C(F)(F)c1ccccn1
InChIInChI=1S/C15H16F2N4O/c16-15(17,13-4-1-2-7-18-13)14(22)20-10-5-12(6-11-20)21-9-3-8-19-21/h1-4,7-9,12H,5-6,10-11H2
InChIKeyFZYDAHNQKSDGAM-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.23
Rot. Bonds3

About 2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone

2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone (PubChem CID 75389333) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone
PubChem CID75389333
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone
SMILESO=C(N1CCC(n2cccn2)CC1)C(F)(F)c1ccccn1
InChIInChI=1S/C15H16F2N4O/c16-15(17,13-4-1-2-7-18-13)14(22)20-10-5-12(6-11-20)21-9-3-8-19-21/h1-4,7-9,12H,5-6,10-11H2
InChIKeyFZYDAHNQKSDGAM-UHFFFAOYSA-N
XLogP2.23
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone (CID 75389333) is 2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone is O=C(N1CCC(n2cccn2)CC1)C(F)(F)c1ccccn1.
What is the InChIKey of 2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The InChIKey is FZYDAHNQKSDGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c16-15(17,13-4-1-2-7-18-13)14(22)20-10-5-12(6-11-20)21-9-3-8-19-21/h1-4,7-9,12H,5-6,10-11H2.
What are the key properties of 2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone?
2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone has a molecular weight of 306.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 75389333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).