1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one

C22H26N2O — CID 112841590

IUPAC1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C22H26N2O/c1-2-3-12-21(25)23-13-15-24(16-14-23)22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22/h4-11,22H,2-3,12-16H2,1H3
InChIKeyJECUECXCCUSNKT-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.09
Rot. Bonds4

About 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one

1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one (PubChem CID 112841590) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one
PubChem CID112841590
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C22H26N2O/c1-2-3-12-21(25)23-13-15-24(16-14-23)22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22/h4-11,22H,2-3,12-16H2,1H3
InChIKeyJECUECXCCUSNKT-UHFFFAOYSA-N
XLogP4.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
[4-(9H-fluoren-9-yl)piperazin-1-yl]-phenyl-methanone
CID 8366407
(2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-N,N-dimethylethanamide
CID 11465834
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11590596
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methylacetamide
CID 11662784
(4-(9H-Fluoren-9-yl)piperazin-1-yl)(p-tolyl)methanone
CID 9003925
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 23644771
(2R)-1-benzyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide
CID 11511090
1-(4-Benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 718736
3-Methyl-1-[4-(2-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 773338
1-Benzhydryl-4-(cyclopropylcarbonyl)piperazine
CID 902950
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 3412850

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one (CID 112841590) is 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one?
The InChIKey is JECUECXCCUSNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-3-12-21(25)23-13-15-24(16-14-23)22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22/h4-11,22H,2-3,12-16H2,1H3.
What are the key properties of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one?
1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one has a molecular weight of 334.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 112841590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).