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

C19H24N2O4 — CID 134787500

IUPAC4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid
SMILESCC(=O)NC1CC2(CCN(C(=O)CCC(=O)O)CC2)c2ccccc21
InChIInChI=1S/C19H24N2O4/c1-13(22)20-16-12-19(15-5-3-2-4-14(15)16)8-10-21(11-9-19)17(23)6-7-18(24)25/h2-5,16H,6-12H2,1H3,(H,20,22)(H,24,25)
InChIKeyKVYVKNMOJRLZAM-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.99
Rot. Bonds4

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

4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid (PubChem CID 134787500) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid
PubChem CID134787500
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid
SMILESCC(=O)NC1CC2(CCN(C(=O)CCC(=O)O)CC2)c2ccccc21
InChIInChI=1S/C19H24N2O4/c1-13(22)20-16-12-19(15-5-3-2-4-14(15)16)8-10-21(11-9-19)17(23)6-7-18(24)25/h2-5,16H,6-12H2,1H3,(H,20,22)(H,24,25)
InChIKeyKVYVKNMOJRLZAM-UHFFFAOYSA-N
XLogP1.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]acetic acid
CID 2990297
4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid
CID 2814973
N-[1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 118744854
N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 134789211
4-[4-Acetamido-4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid
CID 1444006
2-(1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl)acetic acid
CID 2997438
4-Oxo-4-[1-(propan-2-ylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butanoic acid
CID 134787380
4-[(1'-Benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)amino]-4-oxobutanoic acid
CID 134788526
1-[1'-[4-(Dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea
CID 134788787
N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 134789144
Sdccgsbi-0662511.P001
CID 134789357
N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide
CID 134789597

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid (CID 134787500) is 4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid is CC(=O)NC1CC2(CCN(C(=O)CCC(=O)O)CC2)c2ccccc21.
What is the InChIKey of 4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid?
The InChIKey is KVYVKNMOJRLZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(22)20-16-12-19(15-5-3-2-4-14(15)16)8-10-21(11-9-19)17(23)6-7-18(24)25/h2-5,16H,6-12H2,1H3,(H,20,22)(H,24,25).
What are the key properties of 4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid?
4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid has a molecular weight of 344.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid is sourced from PubChem (CID 134787500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).