1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone

C18H26N2O — CID 131650533

IUPAC1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CC(N(C)C)c1cc(C)ccc12
InChIInChI=1S/C18H26N2O/c1-13-5-6-16-15(11-13)17(19(3)4)12-18(16)7-9-20(10-8-18)14(2)21/h5-6,11,17H,7-10,12H2,1-4H3
InChIKeyLIEFAKNIYUFSGE-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.88
Rot. Bonds1

About 1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone

1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone (PubChem CID 131650533) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
PubChem CID131650533
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CC(N(C)C)c1cc(C)ccc12
InChIInChI=1S/C18H26N2O/c1-13-5-6-16-15(11-13)17(19(3)4)12-18(16)7-9-20(10-8-18)14(2)21/h5-6,11,17H,7-10,12H2,1-4H3
InChIKeyLIEFAKNIYUFSGE-UHFFFAOYSA-N
XLogP2.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone (CID 131650533) is 1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone is CC(=O)N1CCC2(CC1)CC(N(C)C)c1cc(C)ccc12.
What is the InChIKey of 1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone?
The InChIKey is LIEFAKNIYUFSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-5-6-16-15(11-13)17(19(3)4)12-18(16)7-9-20(10-8-18)14(2)21/h5-6,11,17H,7-10,12H2,1-4H3.
What are the key properties of 1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone?
1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone has a molecular weight of 286.42 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 131650533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).