1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone

C15H15F2N5O — CID 130220886

IUPAC1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone
SMILESO=C(Cc1ncccn1)N1CCC(F)(F)C(c2ncccn2)C1
InChIInChI=1S/C15H15F2N5O/c16-15(17)3-8-22(10-11(15)14-20-6-2-7-21-14)13(23)9-12-18-4-1-5-19-12/h1-2,4-7,11H,3,8-10H2
InChIKeyMNZONETUUFLTFU-UHFFFAOYSA-N
MW319.31 g/mol
LogP1.46
Rot. Bonds3

About 1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone

1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone (PubChem CID 130220886) has the molecular formula C15H15F2N5O and a molecular weight of 319.31 g/mol. Its IUPAC name is 1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone.

Molecular Properties

Compound Name1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone
PubChem CID130220886
Molecular FormulaC15H15F2N5O
Molecular Weight319.31 g/mol
Exact Mass319.12
IUPAC Name1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone
SMILESO=C(Cc1ncccn1)N1CCC(F)(F)C(c2ncccn2)C1
InChIInChI=1S/C15H15F2N5O/c16-15(17)3-8-22(10-11(15)14-20-6-2-7-21-14)13(23)9-12-18-4-1-5-19-12/h1-2,4-7,11H,3,8-10H2
InChIKeyMNZONETUUFLTFU-UHFFFAOYSA-N
XLogP1.46
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone?
The IUPAC name of 1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone (CID 130220886) is 1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone.
What is the SMILES notation for 1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone?
The canonical SMILES for 1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone is O=C(Cc1ncccn1)N1CCC(F)(F)C(c2ncccn2)C1.
What is the InChIKey of 1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone?
The InChIKey is MNZONETUUFLTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O/c16-15(17)3-8-22(10-11(15)14-20-6-2-7-21-14)13(23)9-12-18-4-1-5-19-12/h1-2,4-7,11H,3,8-10H2.
What are the key properties of 1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone?
1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone has a molecular weight of 319.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-3-pyrimidin-2-ylpiperidin-1-yl)-2-pyrimidin-2-ylethanone is sourced from PubChem (CID 130220886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).