(1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one

C24H29NO2 — CID 71456175

IUPAC(1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CC[C@]1(CC(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2
InChIInChI=1S/C24H29NO2/c1-22(2)18-8-10-24(22,20(26)15-18)16-21(27)25-13-11-23(12-14-25)9-7-17-5-3-4-6-19(17)23/h3-7,9,18H,8,10-16H2,1-2H3/t18?,24-/m0/s1
InChIKeyQZKDOLFDPNDPMR-LUTIACGYSA-N
MW363.50 g/mol
LogP4.36
Rot. Bonds2

About (1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one

(1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 71456175) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one
PubChem CID71456175
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CC[C@]1(CC(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2
InChIInChI=1S/C24H29NO2/c1-22(2)18-8-10-24(22,20(26)15-18)16-21(27)25-13-11-23(12-14-25)9-7-17-5-3-4-6-19(17)23/h3-7,9,18H,8,10-16H2,1-2H3/t18?,24-/m0/s1
InChIKeyQZKDOLFDPNDPMR-LUTIACGYSA-N
XLogP4.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione
CID 2431807
(1S,4R)-1-(4-benzylpiperidine-1-carbonyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
CID 2942010
(1S)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one
CID 44351004
4-(3,4-Dihydro-2(1H)-isoquinolinylcarbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2898163
1'-[[1-(2-Phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 44349614
Spiro(indan-2,3'-pyrrolidine)-2',5'-dione, 1'-(3-(diethylamino)propyl)-
CID 3058832
2-(2-Oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one
CID 10381541
3-(9H-fluoren-9-yl)-1-nonyl-pyrrolidine-2,5-dione
CID 76327941
2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
CID 118740890
1-(4-Acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one
CID 134125745
[(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone
CID 171344654
3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one
CID 171352846

Frequently Asked Questions

What is the IUPAC name of (1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one (CID 71456175) is (1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one is CC1(C)C2CC[C@]1(CC(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2.
What is the InChIKey of (1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is QZKDOLFDPNDPMR-LUTIACGYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-22(2)18-8-10-24(22,20(26)15-18)16-21(27)25-13-11-23(12-14-25)9-7-17-5-3-4-6-19(17)23/h3-7,9,18H,8,10-16H2,1-2H3/t18?,24-/m0/s1.
What are the key properties of (1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one?
(1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 363.50 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 71456175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).