1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide

C22H20N4O2 — CID 664012

IUPAC1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1
InChIInChI=1S/C22H20N4O2/c23-20(27)14-10-12-26(13-11-14)22-19-18(16-8-4-5-9-17(16)28-19)24-21(25-22)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,23,27)
InChIKeyXBOGFVGEISPOGF-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.74
Rot. Bonds3

About 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide

1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 664012) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID664012
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1
InChIInChI=1S/C22H20N4O2/c23-20(27)14-10-12-26(13-11-14)22-19-18(16-8-4-5-9-17(16)28-19)24-21(25-22)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,23,27)
InChIKeyXBOGFVGEISPOGF-UHFFFAOYSA-N
XLogP3.74
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 664012) is 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1.
What is the InChIKey of 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is XBOGFVGEISPOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-20(27)14-10-12-26(13-11-14)22-19-18(16-8-4-5-9-17(16)28-19)24-21(25-22)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,23,27).
What are the key properties of 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 664012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).