2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine

C23H23N3O — CID 16730656

IUPAC2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine
SMILESNc1ccnc(N2CCC3(CC2)OC(c2ccccc2)c2ccccc23)c1
InChIInChI=1S/C23H23N3O/c24-18-10-13-25-21(16-18)26-14-11-23(12-15-26)20-9-5-4-8-19(20)22(27-23)17-6-2-1-3-7-17/h1-10,13,16,22H,11-12,14-15H2,(H2,24,25)
InChIKeyNPAADSKMLSZJIV-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.28
Rot. Bonds2

About 2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine

2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine (PubChem CID 16730656) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine
PubChem CID16730656
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine
SMILESNc1ccnc(N2CCC3(CC2)OC(c2ccccc2)c2ccccc23)c1
InChIInChI=1S/C23H23N3O/c24-18-10-13-25-21(16-18)26-14-11-23(12-15-26)20-9-5-4-8-19(20)22(27-23)17-6-2-1-3-7-17/h1-10,13,16,22H,11-12,14-15H2,(H2,24,25)
InChIKeyNPAADSKMLSZJIV-UHFFFAOYSA-N
XLogP4.28
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine?
The IUPAC name of 2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine (CID 16730656) is 2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine.
What is the SMILES notation for 2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine?
The canonical SMILES for 2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine is Nc1ccnc(N2CCC3(CC2)OC(c2ccccc2)c2ccccc23)c1.
What is the InChIKey of 2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine?
The InChIKey is NPAADSKMLSZJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c24-18-10-13-25-21(16-18)26-14-11-23(12-15-26)20-9-5-4-8-19(20)22(27-23)17-6-2-1-3-7-17/h1-10,13,16,22H,11-12,14-15H2,(H2,24,25).
What are the key properties of 2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine?
2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)pyridin-4-amine is sourced from PubChem (CID 16730656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).