N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide

C26H32FN3O5 — CID 68817003

IUPACN-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)c(OC[C@@H](CN2CCC3(CC2)Cc2cc(F)ccc2O3)NC(C)=O)c1
InChIInChI=1S/C26H32FN3O5/c1-17(31)28-21(16-34-25-13-22(33-3)5-6-23(25)29-18(2)32)15-30-10-8-26(9-11-30)14-19-12-20(27)4-7-24(19)35-26/h4-7,12-13,21H,8-11,14-16H2,1-3H3,(H,28,31)(H,29,32)/t21-/m1/s1
InChIKeyQKIBSNRBRFMBRL-OAQYLSRUSA-N
MW485.56 g/mol
LogP3.15
Rot. Bonds8

About N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide

N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide (PubChem CID 68817003) has the molecular formula C26H32FN3O5 and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide
PubChem CID68817003
Molecular FormulaC26H32FN3O5
Molecular Weight485.56 g/mol
Exact Mass485.23
IUPAC NameN-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)c(OC[C@@H](CN2CCC3(CC2)Cc2cc(F)ccc2O3)NC(C)=O)c1
InChIInChI=1S/C26H32FN3O5/c1-17(31)28-21(16-34-25-13-22(33-3)5-6-23(25)29-18(2)32)15-30-10-8-26(9-11-30)14-19-12-20(27)4-7-24(19)35-26/h4-7,12-13,21H,8-11,14-16H2,1-3H3,(H,28,31)(H,29,32)/t21-/m1/s1
InChIKeyQKIBSNRBRFMBRL-OAQYLSRUSA-N
XLogP3.15
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide 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 N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide (CID 68817003) is N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)c(OC[C@@H](CN2CCC3(CC2)Cc2cc(F)ccc2O3)NC(C)=O)c1.
What is the InChIKey of N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide?
The InChIKey is QKIBSNRBRFMBRL-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H32FN3O5/c1-17(31)28-21(16-34-25-13-22(33-3)5-6-23(25)29-18(2)32)15-30-10-8-26(9-11-30)14-19-12-20(27)4-7-24(19)35-26/h4-7,12-13,21H,8-11,14-16H2,1-3H3,(H,28,31)(H,29,32)/t21-/m1/s1.
What are the key properties of N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide?
N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide has a molecular weight of 485.56 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 68817003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).