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

C24H24N4O — CID 21220946

IUPAC2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
SMILESc1ccc(C2NCCCC2NCc2cc(-c3cncnc3)cc3ccoc23)cc1
InChIInChI=1S/C24H24N4O/c1-2-5-17(6-3-1)23-22(7-4-9-27-23)28-15-20-12-19(21-13-25-16-26-14-21)11-18-8-10-29-24(18)20/h1-3,5-6,8,10-14,16,22-23,27-28H,4,7,9,15H2
InChIKeyJOBRHBLAUDZTSW-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.47
Rot. Bonds5

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

2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine (PubChem CID 21220946) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
PubChem CID21220946
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
SMILESc1ccc(C2NCCCC2NCc2cc(-c3cncnc3)cc3ccoc23)cc1
InChIInChI=1S/C24H24N4O/c1-2-5-17(6-3-1)23-22(7-4-9-27-23)28-15-20-12-19(21-13-25-16-26-14-21)11-18-8-10-29-24(18)20/h1-3,5-6,8,10-14,16,22-23,27-28H,4,7,9,15H2
InChIKeyJOBRHBLAUDZTSW-UHFFFAOYSA-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

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Related Compounds

(2S,3S)-2-phenyl-N-[(5-pyridin-4-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine;trihydrochloride
CID 139981731
N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine
CID 21220897
(2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
CID 70107326
(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
2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine
CID 21220851
(2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 54104125
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(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-benzyl-2-phenylpiperidin-3-amine
CID 67754429
(2S,3S)-N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 11793012

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine?
The IUPAC name of 2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine (CID 21220946) is 2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine?
The canonical SMILES for 2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine is c1ccc(C2NCCCC2NCc2cc(-c3cncnc3)cc3ccoc23)cc1.
What is the InChIKey of 2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine?
The InChIKey is JOBRHBLAUDZTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-2-5-17(6-3-1)23-22(7-4-9-27-23)28-15-20-12-19(21-13-25-16-26-14-21)11-18-8-10-29-24(18)20/h1-3,5-6,8,10-14,16,22-23,27-28H,4,7,9,15H2.
What are the key properties of 2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine?
2-phenyl-N-[(5-pyrimidin-5-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 2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 21220946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).