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

C24H24N4O — CID 70107326

IUPAC(2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
SMILESc1ccc([C@@H]2NCCC[C@@H]2NCc2cc(-c3cnccn3)cc3ccoc23)cc1
InChIInChI=1S/C24H24N4O/c1-2-5-17(6-3-1)23-21(7-4-9-27-23)28-15-20-14-19(22-16-25-10-11-26-22)13-18-8-12-29-24(18)20/h1-3,5-6,8,10-14,16,21,23,27-28H,4,7,9,15H2/t21-,23-/m0/s1
InChIKeyUTHXIMZYLIUECV-GMAHTHKFSA-N
MW384.48 g/mol
LogP4.47
Rot. Bonds5

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

(2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine (PubChem CID 70107326) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is (2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
PubChem CID70107326
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
SMILESc1ccc([C@@H]2NCCC[C@@H]2NCc2cc(-c3cnccn3)cc3ccoc23)cc1
InChIInChI=1S/C24H24N4O/c1-2-5-17(6-3-1)23-21(7-4-9-27-23)28-15-20-14-19(22-16-25-10-11-26-22)13-18-8-12-29-24(18)20/h1-3,5-6,8,10-14,16,21,23,27-28H,4,7,9,15H2/t21-,23-/m0/s1
InChIKeyUTHXIMZYLIUECV-GMAHTHKFSA-N
XLogP4.47
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine;dihydrochloride
CID 70107730
(2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
CID 54192151
(2S,3S)-2-phenyl-N-[(5-pyridin-4-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine;trihydrochloride
CID 139981731
2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
CID 21220946
2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine
CID 21220851
N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine
CID 21220897
(2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 54104125
(2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride
CID 67619110
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol
CID 11695097
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine?
The IUPAC name of (2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine (CID 70107326) is (2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine?
The canonical SMILES for (2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine is c1ccc([C@@H]2NCCC[C@@H]2NCc2cc(-c3cnccn3)cc3ccoc23)cc1.
What is the InChIKey of (2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine?
The InChIKey is UTHXIMZYLIUECV-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H24N4O/c1-2-5-17(6-3-1)23-21(7-4-9-27-23)28-15-20-14-19(22-16-25-10-11-26-22)13-18-8-12-29-24(18)20/h1-3,5-6,8,10-14,16,21,23,27-28H,4,7,9,15H2/t21-,23-/m0/s1.
What are the key properties of (2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine?
(2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine has a molecular weight of 384.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 70107326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).