1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one

C24H29FN2O2 — CID 90034974

IUPAC1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2(CCNCC2)c2c(F)ccc(OCc3ccccc3)c21
InChIInChI=1S/C24H29FN2O2/c1-23(2,3)22(28)27-16-24(11-13-26-14-12-24)20-18(25)9-10-19(21(20)27)29-15-17-7-5-4-6-8-17/h4-10,26H,11-16H2,1-3H3
InChIKeyIHIFNJVHTXMDFY-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.42
Rot. Bonds3

About 1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one

1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 90034974) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one
PubChem CID90034974
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2(CCNCC2)c2c(F)ccc(OCc3ccccc3)c21
InChIInChI=1S/C24H29FN2O2/c1-23(2,3)22(28)27-16-24(11-13-26-14-12-24)20-18(25)9-10-19(21(20)27)29-15-17-7-5-4-6-8-17/h4-10,26H,11-16H2,1-3H3
InChIKeyIHIFNJVHTXMDFY-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one (CID 90034974) is 1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC2(CCNCC2)c2c(F)ccc(OCc3ccccc3)c21.
What is the InChIKey of 1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is IHIFNJVHTXMDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-23(2,3)22(28)27-16-24(11-13-26-14-12-24)20-18(25)9-10-19(21(20)27)29-15-17-7-5-4-6-8-17/h4-10,26H,11-16H2,1-3H3.
What are the key properties of 1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one?
1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 396.51 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-7-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 90034974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).