2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone

C22H26N2O3 — CID 25054001

IUPAC2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone
SMILESO=C(CNC(CO)c1ccccc1)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C22H26N2O3/c25-15-20(17-6-2-1-3-7-17)23-14-21(26)24-12-10-22(11-13-24)19-9-5-4-8-18(19)16-27-22/h1-9,20,23,25H,10-16H2
InChIKeyQQHRJXJZEWDLFB-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.36
Rot. Bonds5

About 2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone

2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone (PubChem CID 25054001) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Name2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone
PubChem CID25054001
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone
SMILESO=C(CNC(CO)c1ccccc1)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C22H26N2O3/c25-15-20(17-6-2-1-3-7-17)23-14-21(26)24-12-10-22(11-13-24)19-9-5-4-8-18(19)16-27-22/h1-9,20,23,25H,10-16H2
InChIKeyQQHRJXJZEWDLFB-UHFFFAOYSA-N
XLogP2.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone?
The IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone (CID 25054001) is 2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for 2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone?
The canonical SMILES for 2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone is O=C(CNC(CO)c1ccccc1)N1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone?
The InChIKey is QQHRJXJZEWDLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-15-20(17-6-2-1-3-7-17)23-14-21(26)24-12-10-22(11-13-24)19-9-5-4-8-18(19)16-27-22/h1-9,20,23,25H,10-16H2.
What are the key properties of 2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone?
2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone has a molecular weight of 366.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-phenylethyl)amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 25054001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).