2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one

C18H23NO — CID 21307058

IUPAC2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C18H23NO/c1-17(2,3)16(20)19-12-10-18(11-13-19)9-8-14-6-4-5-7-15(14)18/h4-9H,10-13H2,1-3H3
InChIKeyNJINWBHBDLNHAX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.62
Rot. Bonds

About 2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one

2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one (PubChem CID 21307058) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
PubChem CID21307058
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C18H23NO/c1-17(2,3)16(20)19-12-10-18(11-13-19)9-8-14-6-4-5-7-15(14)18/h4-9H,10-13H2,1-3H3
InChIKeyNJINWBHBDLNHAX-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1'-phenylspiro[indene-1,4'-piperidine]
CID 140556311
(2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 25024516
2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 142910401
2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 44611595
5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one
CID 45214344
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 70782218
(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 72903177
N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide
CID 119062370
[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 166368124
6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
CID 170507797
[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 58692415
2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 44611733

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one (CID 21307058) is 2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one is CC(C)(C)C(=O)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one?
The InChIKey is NJINWBHBDLNHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-17(2,3)16(20)19-12-10-18(11-13-19)9-8-14-6-4-5-7-15(14)18/h4-9H,10-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one?
2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one has a molecular weight of 269.39 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one is sourced from PubChem (CID 21307058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).