ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate

C23H27NO3 — CID 10893870

IUPACethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate
SMILESCCOC(=O)CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C23H27NO3/c1-2-26-22(25)16-21-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
InChIKeyUGHBJNQFYIFUDZ-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.20
Rot. Bonds5

About ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate

ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate (PubChem CID 10893870) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate
PubChem CID10893870
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Nameethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate
SMILESCCOC(=O)CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C23H27NO3/c1-2-26-22(25)16-21-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
InChIKeyUGHBJNQFYIFUDZ-UHFFFAOYSA-N
XLogP4.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1''-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofuran-1,4''-piperidine]
CID 44474938
1'-Benzyl-3-(2-fluoroethyl)-3h-spiro[isobenzofurane-1,4'-piperidine]
CID 50994498
1'-benzyl-1-(4-fluorobutyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402462
1-(2-fluoroethyl)-1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 53325575
1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 56840667
(3R)-1'-Benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran-1,4'-piperidine]
CID 72723327
1'-Benzyl-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
CID 10266406
Ethyl 1''-benzylspiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]-3-carboxylate
CID 10948128
(18F)Fluspidine
CID 71719166
3-[3-(4-benzylpiperazin-1-yl)propyl]-3H-2-benzofuran-1-one
CID 141736896
2-(1'-Benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)acetaldehyde
CID 10936584
2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol
CID 11001837

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate?
The IUPAC name of ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate (CID 10893870) is ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate.
What is the SMILES notation for ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate?
The canonical SMILES for ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate is CCOC(=O)CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate?
The InChIKey is UGHBJNQFYIFUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-2-26-22(25)16-21-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3.
What are the key properties of ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate?
ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate has a molecular weight of 365.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)acetate is sourced from PubChem (CID 10893870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).