2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one

C17H24N2O — CID 57041656

IUPAC2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C17H24N2O/c1-16(2,3)15(20)19-12-17(8-10-18-11-9-17)13-6-4-5-7-14(13)19/h4-7,18H,8-12H2,1-3H3
InChIKeyVQPAPVYHLSIEDS-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.70
Rot. Bonds

About 2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one

2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one (PubChem CID 57041656) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one
PubChem CID57041656
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C17H24N2O/c1-16(2,3)15(20)19-12-17(8-10-18-11-9-17)13-6-4-5-7-14(13)19/h4-7,18H,8-12H2,1-3H3
InChIKeyVQPAPVYHLSIEDS-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one (CID 57041656) is 2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one is CC(C)(C)C(=O)N1CC2(CCNCC2)c2ccccc21.
What is the InChIKey of 2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one?
The InChIKey is VQPAPVYHLSIEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-16(2,3)15(20)19-12-17(8-10-18-11-9-17)13-6-4-5-7-14(13)19/h4-7,18H,8-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one?
2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one is sourced from PubChem (CID 57041656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).