(1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

C26H28N4O3 — CID 69399472

IUPAC(1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESNc1ccnc(N2CCC3(CC2)O[C@@H](C(=O)NCCOc2ccccc2)c2ccccc23)c1
InChIInChI=1S/C26H28N4O3/c27-19-10-13-28-23(18-19)30-15-11-26(12-16-30)22-9-5-4-8-21(22)24(33-26)25(31)29-14-17-32-20-6-2-1-3-7-20/h1-10,13,18,24H,11-12,14-17H2,(H2,27,28)(H,29,31)/t24-/m1/s1
InChIKeyQNWMKAJZRKFFPP-XMMPIXPASA-N
MW444.54 g/mol
LogP3.43
Rot. Bonds6

About (1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

(1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (PubChem CID 69399472) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is (1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name(1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
PubChem CID69399472
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name(1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESNc1ccnc(N2CCC3(CC2)O[C@@H](C(=O)NCCOc2ccccc2)c2ccccc23)c1
InChIInChI=1S/C26H28N4O3/c27-19-10-13-28-23(18-19)30-15-11-26(12-16-30)22-9-5-4-8-21(22)24(33-26)25(31)29-14-17-32-20-6-2-1-3-7-20/h1-10,13,18,24H,11-12,14-17H2,(H2,27,28)(H,29,31)/t24-/m1/s1
InChIKeyQNWMKAJZRKFFPP-XMMPIXPASA-N
XLogP3.43
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The IUPAC name of (1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (CID 69399472) is (1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for (1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for (1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is Nc1ccnc(N2CCC3(CC2)O[C@@H](C(=O)NCCOc2ccccc2)c2ccccc23)c1.
What is the InChIKey of (1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The InChIKey is QNWMKAJZRKFFPP-XMMPIXPASA-N. The full InChI is InChI=1S/C26H28N4O3/c27-19-10-13-28-23(18-19)30-15-11-26(12-16-30)22-9-5-4-8-21(22)24(33-26)25(31)29-14-17-32-20-6-2-1-3-7-20/h1-10,13,18,24H,11-12,14-17H2,(H2,27,28)(H,29,31)/t24-/m1/s1.
What are the key properties of (1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
(1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 69399472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).