2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid

C22H25NO4 — CID 136552381

IUPAC2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C22H25NO4/c24-21(25)18-6-2-4-8-20(18)26-16-15-23-13-11-22(12-14-23)10-9-17-5-1-3-7-19(17)27-22/h1-8H,9-16H2,(H,24,25)
InChIKeyVXOOSKAWEWPUGF-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.62
Rot. Bonds5

About 2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid

2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid (PubChem CID 136552381) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid
PubChem CID136552381
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C22H25NO4/c24-21(25)18-6-2-4-8-20(18)26-16-15-23-13-11-22(12-14-23)10-9-17-5-1-3-7-19(17)27-22/h1-8H,9-16H2,(H,24,25)
InChIKeyVXOOSKAWEWPUGF-UHFFFAOYSA-N
XLogP3.62
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 18700230
2-(2-thiomorpholin-4-ylethoxy)benzoic acid
CID 43532595
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid
CID 146135827
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592998
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
2-[2-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethoxy]benzoic acid
CID 136555535
4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide
CID 143746715
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid
CID 20991558

Frequently Asked Questions

What is the IUPAC name of 2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid?
The IUPAC name of 2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid (CID 136552381) is 2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid.
What is the SMILES notation for 2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid?
The canonical SMILES for 2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid is O=C(O)c1ccccc1OCCN1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of 2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid?
The InChIKey is VXOOSKAWEWPUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c24-21(25)18-6-2-4-8-20(18)26-16-15-23-13-11-22(12-14-23)10-9-17-5-1-3-7-19(17)27-22/h1-8H,9-16H2,(H,24,25).
What are the key properties of 2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid?
2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid has a molecular weight of 367.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid is sourced from PubChem (CID 136552381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).