4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide

C16H17FN4O — CID 701325

IUPAC4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O/c17-13-6-4-12(5-7-13)16(22)20-14-10-15(19-11-18-14)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,18,19,20,22)
InChIKeyPCPGFUCJDSXMAF-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.86
Rot. Bonds3

About 4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide

4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 701325) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID701325
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O/c17-13-6-4-12(5-7-13)16(22)20-14-10-15(19-11-18-14)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,18,19,20,22)
InChIKeyPCPGFUCJDSXMAF-UHFFFAOYSA-N
XLogP2.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide (CID 701325) is 4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide is O=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is PCPGFUCJDSXMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-13-6-4-12(5-7-13)16(22)20-14-10-15(19-11-18-14)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,18,19,20,22).
What are the key properties of 4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 300.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 701325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).