2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide

C17H17FN4O2 — CID 126826467

IUPAC2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide
SMILESNC(=O)C(F)C1CCN(c2ncnc3c2oc2ccccc23)CC1
InChIInChI=1S/C17H17FN4O2/c18-13(16(19)23)10-5-7-22(8-6-10)17-15-14(20-9-21-17)11-3-1-2-4-12(11)24-15/h1-4,9-10,13H,5-8H2,(H2,19,23)
InChIKeyBMCQZCRBIGFYCD-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.42
Rot. Bonds3

About 2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide

2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide (PubChem CID 126826467) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide.

Molecular Properties

Compound Name2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide
PubChem CID126826467
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide
SMILESNC(=O)C(F)C1CCN(c2ncnc3c2oc2ccccc23)CC1
InChIInChI=1S/C17H17FN4O2/c18-13(16(19)23)10-5-7-22(8-6-10)17-15-14(20-9-21-17)11-3-1-2-4-12(11)24-15/h1-4,9-10,13H,5-8H2,(H2,19,23)
InChIKeyBMCQZCRBIGFYCD-UHFFFAOYSA-N
XLogP2.42
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide?
The IUPAC name of 2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide (CID 126826467) is 2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide.
What is the SMILES notation for 2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide?
The canonical SMILES for 2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide is NC(=O)C(F)C1CCN(c2ncnc3c2oc2ccccc23)CC1.
What is the InChIKey of 2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide?
The InChIKey is BMCQZCRBIGFYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-13(16(19)23)10-5-7-22(8-6-10)17-15-14(20-9-21-17)11-3-1-2-4-12(11)24-15/h1-4,9-10,13H,5-8H2,(H2,19,23).
What are the key properties of 2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide?
2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide has a molecular weight of 328.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide is sourced from PubChem (CID 126826467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).