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

C26H34N2O — CID 122187624

IUPAC1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H34N2O/c1-2-3-4-5-6-7-16-25(29)27-17-19-28(20-18-27)26-23-14-10-8-12-21(23)22-13-9-11-15-24(22)26/h8-15,26H,2-7,16-20H2,1H3
InChIKeyJFFBGKRXGVWTOK-UHFFFAOYSA-N
MW390.57 g/mol
LogP5.65
Rot. Bonds8

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

1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one (PubChem CID 122187624) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one.

Molecular Properties

Compound Name1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one
PubChem CID122187624
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H34N2O/c1-2-3-4-5-6-7-16-25(29)27-17-19-28(20-18-27)26-23-14-10-8-12-21(23)22-13-9-11-15-24(22)26/h8-15,26H,2-7,16-20H2,1H3
InChIKeyJFFBGKRXGVWTOK-UHFFFAOYSA-N
XLogP5.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
(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-propan-2-ylacetamide
CID 6918854
[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
9H-fluoren-4-yl(piperidino)methanone
CID 2802294
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 3412850
(2R)-2-(4-fluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-N-isopropylethanamide
CID 11569194
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 11612607

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one?
The IUPAC name of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one (CID 122187624) is 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one.
What is the SMILES notation for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one?
The canonical SMILES for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one is CCCCCCCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one?
The InChIKey is JFFBGKRXGVWTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c1-2-3-4-5-6-7-16-25(29)27-17-19-28(20-18-27)26-23-14-10-8-12-21(23)22-13-9-11-15-24(22)26/h8-15,26H,2-7,16-20H2,1H3.
What are the key properties of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one?
1-[4-(9H-fluoren-9-yl)piperazin-1-yl]nonan-1-one has a molecular weight of 390.57 g/mol, XLogP of 5.65, 8 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]nonan-1-one is sourced from PubChem (CID 122187624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).