2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide

C23H28N2O2 — CID 10937393

IUPAC2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide
SMILESCNC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C23H28N2O2/c1-24-22(26)16-20-15-19-9-5-6-10-21(19)23(27-20)11-13-25(14-12-23)17-18-7-3-2-4-8-18/h2-10,20H,11-17H2,1H3,(H,24,26)
InChIKeyFZOYRIYTSQLEGS-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.26
Rot. Bonds4

About 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide

2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide (PubChem CID 10937393) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide
PubChem CID10937393
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide
SMILESCNC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C23H28N2O2/c1-24-22(26)16-20-15-19-9-5-6-10-21(19)23(27-20)11-13-25(14-12-23)17-18-7-3-2-4-8-18/h2-10,20H,11-17H2,1H3,(H,24,26)
InChIKeyFZOYRIYTSQLEGS-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
CID 2969719
1'-Benzyl-3-ethylspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 10903339
2-(1'-Benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)acetaldehyde
CID 10936584
Ethyl 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)acetate
CID 11003384
Ethyl 1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-carboxylate
CID 11046757
2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylethanamine
CID 11824300
(R)-1''-benzyl-3-ethylspiro[isochroman-1,4''-piperidine]
CID 49798667
(R)-ethyl 2-(1''-benzylspiro[isochroman-1,4''-piperidine]-3-yl)acetate
CID 49798679
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylbutanamide
CID 122181144
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylbutanamide
CID 122181147
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylbutanamide
CID 122181150
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-(3-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
CID 122181151

Frequently Asked Questions

What is the IUPAC name of 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide?
The IUPAC name of 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide (CID 10937393) is 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide is CNC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide?
The InChIKey is FZOYRIYTSQLEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-24-22(26)16-20-15-19-9-5-6-10-21(19)23(27-20)11-13-25(14-12-23)17-18-7-3-2-4-8-18/h2-10,20H,11-17H2,1H3,(H,24,26).
What are the key properties of 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide?
2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide has a molecular weight of 364.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide is sourced from PubChem (CID 10937393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).