1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride

C21H24ClNO2 — CID 22660725

IUPAC1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
SMILESCCc1ccc2c(c1)C1(CCN(Cc3ccccc3)CC1)OC2=O.Cl
InChIInChI=1S/C21H23NO2.ClH/c1-2-16-8-9-18-19(14-16)21(24-20(18)23)10-12-22(13-11-21)15-17-6-4-3-5-7-17;/h3-9,14H,2,10-13,15H2,1H3;1H
InChIKeyDMVGNXBJSSVEHH-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.33
Rot. Bonds3

About 1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride

1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride (PubChem CID 22660725) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride.

Molecular Properties

Compound Name1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
PubChem CID22660725
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
SMILESCCc1ccc2c(c1)C1(CCN(Cc3ccccc3)CC1)OC2=O.Cl
InChIInChI=1S/C21H23NO2.ClH/c1-2-16-8-9-18-19(14-16)21(24-20(18)23)10-12-22(13-11-21)15-17-6-4-3-5-7-17;/h3-9,14H,2,10-13,15H2,1H3;1H
InChIKeyDMVGNXBJSSVEHH-UHFFFAOYSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 178050346
6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
CID 22660753
8-benzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814236
1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one
CID 71489717
1'-benzyl-6-(4-tert-butylpiperazin-1-yl)-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594349
3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814309
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one
CID 71489722
8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 46275263
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332705
8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 160986677

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride?
The IUPAC name of 1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride (CID 22660725) is 1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride.
What is the SMILES notation for 1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride?
The canonical SMILES for 1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride is CCc1ccc2c(c1)C1(CCN(Cc3ccccc3)CC1)OC2=O.Cl.
What is the InChIKey of 1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride?
The InChIKey is DMVGNXBJSSVEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2.ClH/c1-2-16-8-9-18-19(14-16)21(24-20(18)23)10-12-22(13-11-21)15-17-6-4-3-5-7-17;/h3-9,14H,2,10-13,15H2,1H3;1H.
What are the key properties of 1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride?
1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride has a molecular weight of 357.88 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride is sourced from PubChem (CID 22660725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).