1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

C18H24FN3O — CID 100904348

IUPAC1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CC3(CCC3)c3c(F)cccc32)CC1
InChIInChI=1S/C18H24FN3O/c1-20-8-10-21(11-9-20)12-16(23)22-13-18(6-3-7-18)17-14(19)4-2-5-15(17)22/h2,4-5H,3,6-13H2,1H3
InChIKeyHIWNPUMLKQVKCF-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.84
Rot. Bonds2

About 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 100904348) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID100904348
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CC3(CCC3)c3c(F)cccc32)CC1
InChIInChI=1S/C18H24FN3O/c1-20-8-10-21(11-9-20)12-16(23)22-13-18(6-3-7-18)17-14(19)4-2-5-15(17)22/h2,4-5H,3,6-13H2,1H3
InChIKeyHIWNPUMLKQVKCF-UHFFFAOYSA-N
XLogP1.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one
CID 119314082
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119765165
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 100907616
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone
CID 166244109
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 166180298
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129369998
(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119765160

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone (CID 100904348) is 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)N2CC3(CCC3)c3c(F)cccc32)CC1.
What is the InChIKey of 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is HIWNPUMLKQVKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-20-8-10-21(11-9-20)12-16(23)22-13-18(6-3-7-18)17-14(19)4-2-5-15(17)22/h2,4-5H,3,6-13H2,1H3.
What are the key properties of 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 317.41 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 100904348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).