1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one

C23H27FN2O — CID 10618918

IUPAC1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one
SMILESCN1CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H27FN2O/c1-25-17-23(20-5-2-3-6-21(20)25)12-15-26(16-13-23)14-4-7-22(27)18-8-10-19(24)11-9-18/h2-3,5-6,8-11H,4,7,12-17H2,1H3
InChIKeyAPDLVICBNVGZDB-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.27
Rot. Bonds5

About 1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one

1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one (PubChem CID 10618918) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one
PubChem CID10618918
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one
SMILESCN1CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H27FN2O/c1-25-17-23(20-5-2-3-6-21(20)25)12-15-26(16-13-23)14-4-7-22(27)18-8-10-19(24)11-9-18/h2-3,5-6,8-11H,4,7,12-17H2,1H3
InChIKeyAPDLVICBNVGZDB-UHFFFAOYSA-N
XLogP4.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one (CID 10618918) is 1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one is CN1CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one?
The InChIKey is APDLVICBNVGZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-25-17-23(20-5-2-3-6-21(20)25)12-15-26(16-13-23)14-4-7-22(27)18-8-10-19(24)11-9-18/h2-3,5-6,8-11H,4,7,12-17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one?
1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one has a molecular weight of 366.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one is sourced from PubChem (CID 10618918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).