1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one

C17H17N3O3 — CID 143462326

IUPAC1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESNc1ccnc(N2CCC3(CC2)OC(=O)c2c(O)cccc23)c1
InChIInChI=1S/C17H17N3O3/c18-11-4-7-19-14(10-11)20-8-5-17(6-9-20)12-2-1-3-13(21)15(12)16(22)23-17/h1-4,7,10,21H,5-6,8-9H2,(H2,18,19)
InChIKeyXNBVWVWXAZOHMD-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.04
Rot. Bonds1

About 1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 143462326) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID143462326
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESNc1ccnc(N2CCC3(CC2)OC(=O)c2c(O)cccc23)c1
InChIInChI=1S/C17H17N3O3/c18-11-4-7-19-14(10-11)20-8-5-17(6-9-20)12-2-1-3-13(21)15(12)16(22)23-17/h1-4,7,10,21H,5-6,8-9H2,(H2,18,19)
InChIKeyXNBVWVWXAZOHMD-UHFFFAOYSA-N
XLogP2.04
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one (CID 143462326) is 1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one is Nc1ccnc(N2CCC3(CC2)OC(=O)c2c(O)cccc23)c1.
What is the InChIKey of 1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is XNBVWVWXAZOHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c18-11-4-7-19-14(10-11)20-8-5-17(6-9-20)12-2-1-3-13(21)15(12)16(22)23-17/h1-4,7,10,21H,5-6,8-9H2,(H2,18,19).
What are the key properties of 1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 311.34 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 143462326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).