(E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one

C26H24N2O — CID 118725826

IUPAC(E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H24N2O/c29-25(15-14-20-8-2-1-3-9-20)27-16-18-28(19-17-27)26-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26/h1-15,26H,16-19H2/b15-14+
InChIKeyYKWNNGNJCOUZAJ-CCEZHUSRSA-N
MW380.49 g/mol
LogP4.61
Rot. Bonds3

About (E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one

(E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 118725826) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is (E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
PubChem CID118725826
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name(E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H24N2O/c29-25(15-14-20-8-2-1-3-9-20)27-16-18-28(19-17-27)26-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26/h1-15,26H,16-19H2/b15-14+
InChIKeyYKWNNGNJCOUZAJ-CCEZHUSRSA-N
XLogP4.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-(9H-fluoren-9-yl)piperazin-1-yl]-phenyl-methanone
CID 8366407
(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
2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 1351222
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 3412850
1'-[(2-Acetyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]-2,3-dihydrospiro[indene-1,4'-piperidine]
CID 11624970
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 118725822
2-{2-[4-(9H-Fluoren-9-yl)-piperazin-1-yl]-2-oxo-ethyl}-isoindole-1,3-dione
CID 1124451
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 9517691
N-[4-(4-diphenylmethylpiperazin-1-yl)butyl]cinnamide
CID 13767784
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(m-tolyl)methanone
CID 118725820
(2,5-difluorophenyl)-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone
CID 118725823

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one (CID 118725826) is (E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of (E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is YKWNNGNJCOUZAJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C26H24N2O/c29-25(15-14-20-8-2-1-3-9-20)27-16-18-28(19-17-27)26-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26/h1-15,26H,16-19H2/b15-14+.
What are the key properties of (E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
(E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 380.49 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 118725826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).