[3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid

C25H26FN3O3 — CID 23367838

IUPAC[3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid
SMILESO=C(O)NC(Cc1c[nH]c2ccc(F)cc12)C(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C25H26FN3O3/c26-18-5-6-21-19(14-18)17(15-27-21)13-22(28-24(31)32)23(30)29-11-9-25(10-12-29)8-7-16-3-1-2-4-20(16)25/h1-6,14-15,22,27-28H,7-13H2,(H,31,32)
InChIKeyCXCRTCSMJWPGER-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.99
Rot. Bonds4

About [3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid

[3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid (PubChem CID 23367838) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is [3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid
PubChem CID23367838
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name[3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid
SMILESO=C(O)NC(Cc1c[nH]c2ccc(F)cc12)C(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C25H26FN3O3/c26-18-5-6-21-19(14-18)17(15-27-21)13-22(28-24(31)32)23(30)29-11-9-25(10-12-29)8-7-16-3-1-2-4-20(16)25/h1-6,14-15,22,27-28H,7-13H2,(H,31,32)
InChIKeyCXCRTCSMJWPGER-UHFFFAOYSA-N
XLogP3.99
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide;hydrochloride
CID 23367775
2-amino-3-(5-methyl-1H-indol-3-yl)-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-1-one
CID 70342928
2-[(1S)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(5-fluoro-1H-indol-3-yl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetic acid
CID 22867258
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[3-(1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]urea
CID 23529194
N-[(2R)-1-[5-fluoro-1-(trifluoromethylsulfonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
CID 22875153
[(2R)-3-[(4-chlorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid
CID 22867303
2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide;dihydrochloride
CID 19030525
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide;dihydrochloride
CID 22875158
N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 112843422
1-(2,4-difluorophenyl)-3-[1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea
CID 42707352
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[3-(1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpropan-2-yl]urea
CID 154625782
2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
CID 22867440

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid?
The IUPAC name of [3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid (CID 23367838) is [3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid.
What is the SMILES notation for [3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid?
The canonical SMILES for [3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid is O=C(O)NC(Cc1c[nH]c2ccc(F)cc12)C(=O)N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of [3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid?
The InChIKey is CXCRTCSMJWPGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c26-18-5-6-21-19(14-18)17(15-27-21)13-22(28-24(31)32)23(30)29-11-9-25(10-12-29)8-7-16-3-1-2-4-20(16)25/h1-6,14-15,22,27-28H,7-13H2,(H,31,32).
What are the key properties of [3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid?
[3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid has a molecular weight of 435.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid is sourced from PubChem (CID 23367838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).