5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid

C24H28N2O3 — CID 2814975

IUPAC5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H28N2O3/c1-24(2,16-22(28)29)15-21(27)25-11-13-26(14-12-25)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-10,23H,11-16H2,1-2H3,(H,28,29)
InChIKeyRIXWATQTCFQICX-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.79
Rot. Bonds5

About 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid

5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 2814975) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID2814975
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H28N2O3/c1-24(2,16-22(28)29)15-21(27)25-11-13-26(14-12-25)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-10,23H,11-16H2,1-2H3,(H,28,29)
InChIKeyRIXWATQTCFQICX-UHFFFAOYSA-N
XLogP3.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid with MolForge

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Related Compounds

(1-{2-[4-(Diphenylmethyl)piperazin-1-Yl]-2-Oxoethyl}cyclopentyl)acetic Acid
CID 2809698
methyl 5-[({2-[benzyl(methyl)amino]-2,3-dihydro-1H-inden-2-yl}methyl)amino]-5-oxopentanoate
CID 23723944
5-(4-Benzhydrylpiperazin-1-yl)-5-oxopentanoic acid
CID 661389
2-[1-[2-(4-Benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 78225286
4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid
CID 2814973
1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one
CID 112841590
1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one
CID 122187624
1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2746395
5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid
CID 2814972
1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one
CID 126479921
5-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]-5-oxopentanoic acid
CID 134787245
5-oxo-5-[1'-(2-phenylethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]pentanoic acid
CID 134787951

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid (CID 2814975) is 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is RIXWATQTCFQICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-24(2,16-22(28)29)15-21(27)25-11-13-26(14-12-25)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-10,23H,11-16H2,1-2H3,(H,28,29).
What are the key properties of 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid?
5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 392.50 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 2814975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).