1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one

C15H19NO2 — CID 14976651

IUPAC1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one
SMILESCC1OC(=O)C2(CCN(C)CC2)c2ccccc21
InChIInChI=1S/C15H19NO2/c1-11-12-5-3-4-6-13(12)15(14(17)18-11)7-9-16(2)10-8-15/h3-6,11H,7-10H2,1-2H3
InChIKeyJESPXRFUNDAMES-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.27
Rot. Bonds

About 1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one

1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one (PubChem CID 14976651) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one.

Molecular Properties

Compound Name1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one
PubChem CID14976651
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one
SMILESCC1OC(=O)C2(CCN(C)CC2)c2ccccc21
InChIInChI=1S/C15H19NO2/c1-11-12-5-3-4-6-13(12)15(14(17)18-11)7-9-16(2)10-8-15/h3-6,11H,7-10H2,1-2H3
InChIKeyJESPXRFUNDAMES-UHFFFAOYSA-N
XLogP2.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide
CID 22463940
1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one
CID 59352034
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
CID 21055565
1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine
CID 117434122
ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 176678113
N,N,1'-trimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 22091690
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine
CID 84727415
4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde
CID 88542986
5,5-difluoro-1-methyl-3,4-dihydro-1H-2-benzoxepine
CID 165409714
1'-methyl-2-(2-phenylphenyl)spiro[1,2-dihydroindole-3,4'-piperidine]
CID 12733516

Frequently Asked Questions

What is the IUPAC name of 1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one?
The IUPAC name of 1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one (CID 14976651) is 1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one.
What is the SMILES notation for 1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one?
The canonical SMILES for 1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one is CC1OC(=O)C2(CCN(C)CC2)c2ccccc21.
What is the InChIKey of 1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one?
The InChIKey is JESPXRFUNDAMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-12-5-3-4-6-13(12)15(14(17)18-11)7-9-16(2)10-8-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one?
1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one has a molecular weight of 245.32 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-dimethylspiro[1H-isochromene-4,4'-piperidine]-3-one is sourced from PubChem (CID 14976651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).