(2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine

C25H25N3O — CID 54192151

IUPAC(2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
SMILESc1ccc([C@H]2NCCC[C@H]2NCc2cc(-c3ccccn3)cc3ccoc23)cc1
InChIInChI=1S/C25H25N3O/c1-2-7-18(8-3-1)24-23(10-6-13-27-24)28-17-21-16-20(22-9-4-5-12-26-22)15-19-11-14-29-25(19)21/h1-5,7-9,11-12,14-16,23-24,27-28H,6,10,13,17H2/t23-,24-/m1/s1
InChIKeyPJGNQBKOVBHASE-DNQXCXABSA-N
MW383.50 g/mol
LogP5.08
Rot. Bonds5

About (2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine

(2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine (PubChem CID 54192151) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is (2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
PubChem CID54192151
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name(2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
SMILESc1ccc([C@H]2NCCC[C@H]2NCc2cc(-c3ccccn3)cc3ccoc23)cc1
InChIInChI=1S/C25H25N3O/c1-2-7-18(8-3-1)24-23(10-6-13-27-24)28-17-21-16-20(22-9-4-5-12-26-22)15-19-11-14-29-25(19)21/h1-5,7-9,11-12,14-16,23-24,27-28H,6,10,13,17H2/t23-,24-/m1/s1
InChIKeyPJGNQBKOVBHASE-DNQXCXABSA-N
XLogP5.08
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine?
The IUPAC name of (2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine (CID 54192151) is (2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine?
The canonical SMILES for (2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine is c1ccc([C@H]2NCCC[C@H]2NCc2cc(-c3ccccn3)cc3ccoc23)cc1.
What is the InChIKey of (2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine?
The InChIKey is PJGNQBKOVBHASE-DNQXCXABSA-N. The full InChI is InChI=1S/C25H25N3O/c1-2-7-18(8-3-1)24-23(10-6-13-27-24)28-17-21-16-20(22-9-4-5-12-26-22)15-19-11-14-29-25(19)21/h1-5,7-9,11-12,14-16,23-24,27-28H,6,10,13,17H2/t23-,24-/m1/s1.
What are the key properties of (2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine?
(2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine has a molecular weight of 383.50 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 54192151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).