5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one

C15H14N4O2 — CID 133286045

IUPAC5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one
SMILESO=C1CCC(Nc2ncnc3c2oc2ccccc23)CN1
InChIInChI=1S/C15H14N4O2/c20-12-6-5-9(7-16-12)19-15-14-13(17-8-18-15)10-3-1-2-4-11(10)21-14/h1-4,8-9H,5-7H2,(H,16,20)(H,17,18,19)
InChIKeyGGKBVAUZWAAMFF-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.07
Rot. Bonds2

About 5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one

5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one (PubChem CID 133286045) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one.

Molecular Properties

Compound Name5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one
PubChem CID133286045
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one
SMILESO=C1CCC(Nc2ncnc3c2oc2ccccc23)CN1
InChIInChI=1S/C15H14N4O2/c20-12-6-5-9(7-16-12)19-15-14-13(17-8-18-15)10-3-1-2-4-11(10)21-14/h1-4,8-9H,5-7H2,(H,16,20)(H,17,18,19)
InChIKeyGGKBVAUZWAAMFF-UHFFFAOYSA-N
XLogP2.07
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one?
The IUPAC name of 5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one (CID 133286045) is 5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one.
What is the SMILES notation for 5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one?
The canonical SMILES for 5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one is O=C1CCC(Nc2ncnc3c2oc2ccccc23)CN1.
What is the InChIKey of 5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one?
The InChIKey is GGKBVAUZWAAMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-12-6-5-9(7-16-12)19-15-14-13(17-8-18-15)10-3-1-2-4-11(10)21-14/h1-4,8-9H,5-7H2,(H,16,20)(H,17,18,19).
What are the key properties of 5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one?
5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one has a molecular weight of 282.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one is sourced from PubChem (CID 133286045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).