2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

C16H17FN4O — CID 23609657

IUPAC2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1ccccc1F
InChIInChI=1S/C16H17FN4O/c17-14-5-2-1-4-13(14)15(22)20-12-6-10-21(11-7-12)16-18-8-3-9-19-16/h1-5,8-9,12H,6-7,10-11H2,(H,20,22)
InChIKeyMSHCIYRCQOHSLO-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.01
Rot. Bonds3

About 2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (PubChem CID 23609657) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
PubChem CID23609657
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1ccccc1F
InChIInChI=1S/C16H17FN4O/c17-14-5-2-1-4-13(14)15(22)20-12-6-10-21(11-7-12)16-18-8-3-9-19-16/h1-5,8-9,12H,6-7,10-11H2,(H,20,22)
InChIKeyMSHCIYRCQOHSLO-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (CID 23609657) is 2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is O=C(NC1CCN(c2ncccn2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is MSHCIYRCQOHSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-14-5-2-1-4-13(14)15(22)20-12-6-10-21(11-7-12)16-18-8-3-9-19-16/h1-5,8-9,12H,6-7,10-11H2,(H,20,22).
What are the key properties of 2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 300.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 23609657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).