2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

C16H16F2N4O — CID 23609658

IUPAC2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1c(F)cccc1F
InChIInChI=1S/C16H16F2N4O/c17-12-3-1-4-13(18)14(12)15(23)21-11-5-9-22(10-6-11)16-19-7-2-8-20-16/h1-4,7-8,11H,5-6,9-10H2,(H,21,23)
InChIKeyNCVJZUYGOFRBGQ-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.15
Rot. Bonds3

About 2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (PubChem CID 23609658) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is 2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
PubChem CID23609658
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1c(F)cccc1F
InChIInChI=1S/C16H16F2N4O/c17-12-3-1-4-13(18)14(12)15(23)21-11-5-9-22(10-6-11)16-19-7-2-8-20-16/h1-4,7-8,11H,5-6,9-10H2,(H,21,23)
InChIKeyNCVJZUYGOFRBGQ-UHFFFAOYSA-N
XLogP2.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (CID 23609658) is 2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is O=C(NC1CCN(c2ncccn2)CC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is NCVJZUYGOFRBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c17-12-3-1-4-13(18)14(12)15(23)21-11-5-9-22(10-6-11)16-19-7-2-8-20-16/h1-4,7-8,11H,5-6,9-10H2,(H,21,23).
What are the key properties of 2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 318.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 23609658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).