5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide

C23H27N3O2 — CID 18418717

IUPAC5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide
SMILESCC(CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1)C(N)=O
InChIInChI=1S/C23H27N3O2/c1-16(23(24)28)10-11-21(27)25-12-14-26(15-13-25)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-9,16,22H,10-15H2,1H3,(H2,24,28)
InChIKeyHTAFODVXGMPQRM-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.80
Rot. Bonds5

About 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide

5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide (PubChem CID 18418717) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide.

Molecular Properties

Compound Name5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide
PubChem CID18418717
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide
SMILESCC(CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1)C(N)=O
InChIInChI=1S/C23H27N3O2/c1-16(23(24)28)10-11-21(27)25-12-14-26(15-13-25)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-9,16,22H,10-15H2,1H3,(H2,24,28)
InChIKeyHTAFODVXGMPQRM-UHFFFAOYSA-N
XLogP2.80
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide?
The IUPAC name of 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide (CID 18418717) is 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide.
What is the SMILES notation for 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide?
The canonical SMILES for 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide is CC(CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1)C(N)=O.
What is the InChIKey of 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide?
The InChIKey is HTAFODVXGMPQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(23(24)28)10-11-21(27)25-12-14-26(15-13-25)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-9,16,22H,10-15H2,1H3,(H2,24,28).
What are the key properties of 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide?
5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide has a molecular weight of 377.49 g/mol, XLogP of 2.80, 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]-2-methyl-5-oxopentanamide is sourced from PubChem (CID 18418717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).