4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid

C21H22N2O3 — CID 2814973

IUPAC4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H22N2O3/c24-19(9-10-20(25)26)22-11-13-23(14-12-22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,21H,9-14H2,(H,25,26)
InChIKeyZXUIBNUAZPYGAQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.77
Rot. Bonds4

About 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid

4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid (PubChem CID 2814973) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid
PubChem CID2814973
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H22N2O3/c24-19(9-10-20(25)26)22-11-13-23(14-12-22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,21H,9-14H2,(H,25,26)
InChIKeyZXUIBNUAZPYGAQ-UHFFFAOYSA-N
XLogP2.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid (CID 2814973) is 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid?
The InChIKey is ZXUIBNUAZPYGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-19(9-10-20(25)26)22-11-13-23(14-12-22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,21H,9-14H2,(H,25,26).
What are the key properties of 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid?
4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid has a molecular weight of 350.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 2814973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).