4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid

C24H26N2O4 — CID 134788526

IUPAC4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H26N2O4/c27-21(10-11-22(28)29)25-20-16-24(19-9-5-4-8-18(19)20)12-14-26(15-13-24)23(30)17-6-2-1-3-7-17/h1-9,20H,10-16H2,(H,25,27)(H,28,29)
InChIKeyZOQNIBBTUOZSFX-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.29
Rot. Bonds5

About 4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid

4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid (PubChem CID 134788526) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid
PubChem CID134788526
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H26N2O4/c27-21(10-11-22(28)29)25-20-16-24(19-9-5-4-8-18(19)20)12-14-26(15-13-24)23(30)17-6-2-1-3-7-17/h1-9,20H,10-16H2,(H,25,27)(H,28,29)
InChIKeyZOQNIBBTUOZSFX-UHFFFAOYSA-N
XLogP3.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

2-benzoyl-N-(3-{2,3-dihydrospiro[indene-1,4''-piperidine]-1''-yl}propyl)benzamide
CID 11619363
N-[(1S,2R)-2-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropylcarbamoyl)cyclohexyl]benzamide
CID 44406997
N-[(1S,2S)-2-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropylcarbamoyl)cyclohexyl]benzamide
CID 44406998
N-[1-oxo-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropylamino)propan-2-yl]benzamide
CID 44407050
(2R,3S)-1-(9H-Fluorene-2-carbonyl)-piperazine-2,3-dicarboxylic acid
CID 11245520
4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid
CID 2814973
4-[(9-Oxofluorene-4-carbonyl)amino]butanoic acid
CID 168299586
4-Oxo-4-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butanoic acid
CID 134787380
4-(1-Acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid
CID 134787500
2-amino-N-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
CID 134788652
CID 134790136
CID 134790136
1-(1'-Benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea
CID 134790690

Frequently Asked Questions

What is the IUPAC name of 4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid (CID 134788526) is 4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid is O=C(O)CCC(=O)NC1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid?
The InChIKey is ZOQNIBBTUOZSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c27-21(10-11-22(28)29)25-20-16-24(19-9-5-4-8-18(19)20)12-14-26(15-13-24)23(30)17-6-2-1-3-7-17/h1-9,20H,10-16H2,(H,25,27)(H,28,29).
What are the key properties of 4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid?
4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid has a molecular weight of 406.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 134788526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).