1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one

C18H24F2N2O2 — CID 90035060

IUPAC1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one
SMILESCOc1c(F)cc(F)c2c1N(C(=O)C(C)(C)C)CC21CCNCC1
InChIInChI=1S/C18H24F2N2O2/c1-17(2,3)16(23)22-10-18(5-7-21-8-6-18)13-11(19)9-12(20)15(24-4)14(13)22/h9,21H,5-8,10H2,1-4H3
InChIKeyNVZCCEQGQZIDLX-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.99
Rot. Bonds1

About 1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one

1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 90035060) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one
PubChem CID90035060
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one
SMILESCOc1c(F)cc(F)c2c1N(C(=O)C(C)(C)C)CC21CCNCC1
InChIInChI=1S/C18H24F2N2O2/c1-17(2,3)16(23)22-10-18(5-7-21-8-6-18)13-11(19)9-12(20)15(24-4)14(13)22/h9,21H,5-8,10H2,1-4H3
InChIKeyNVZCCEQGQZIDLX-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one (CID 90035060) is 1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one is COc1c(F)cc(F)c2c1N(C(=O)C(C)(C)C)CC21CCNCC1.
What is the InChIKey of 1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is NVZCCEQGQZIDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-17(2,3)16(23)22-10-18(5-7-21-8-6-18)13-11(19)9-12(20)15(24-4)14(13)22/h9,21H,5-8,10H2,1-4H3.
What are the key properties of 1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one?
1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 338.40 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-7-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 90035060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).