3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one

C25H22N4O — CID 135478235

IUPAC3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C25H22N4O/c30-25-23(21-11-5-6-12-22(21)26-25)27-29-15-13-28(14-16-29)24-19-9-3-1-7-17(19)18-8-2-4-10-20(18)24/h1-12,24H,13-16H2,(H,26,27,30)
InChIKeySVHVWKFCWQBNLZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.73
Rot. Bonds2

About 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one

3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one (PubChem CID 135478235) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one.

Molecular Properties

Compound Name3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
PubChem CID135478235
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C25H22N4O/c30-25-23(21-11-5-6-12-22(21)26-25)27-29-15-13-28(14-16-29)24-19-9-3-1-7-17(19)18-8-2-4-10-20(18)24/h1-12,24H,13-16H2,(H,26,27,30)
InChIKeySVHVWKFCWQBNLZ-UHFFFAOYSA-N
XLogP3.73
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
CID 135488924
3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one
CID 135455698
(3E)-3-(4-benzylpiperazin-1-yl)imino-1H-indol-2-one
CID 135505311
(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine
CID 5350792
2-[(2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135484693
(3aR,7aR)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-3a,7a-dihydroisoindole-1,3-dione
CID 135583473
3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one
CID 135582235
3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione
CID 135956380
3-[4-[4-[4-[(2-oxo-1H-indol-3-ylidene)amino]benzoyl]piperazine-1-carbonyl]phenyl]imino-1H-indol-2-one
CID 137144313
2-[1-[4-(6-oxo-5,11-dihydrobenzo[c][1]benzazepin-11-yl)piperazine-1-carbonyl]cyclobutyl]acetic acid
CID 154734179
3-[(1R,2R)-2-[(2-oxo-1H-indol-3-ylidene)amino]cyclohexyl]imino-1H-indol-2-one
CID 139084077
1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride
CID 24842181

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one?
The IUPAC name of 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one (CID 135478235) is 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one.
What is the SMILES notation for 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one?
The canonical SMILES for 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one is O=C1Nc2ccccc2C1=NN1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one?
The InChIKey is SVHVWKFCWQBNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c30-25-23(21-11-5-6-12-22(21)26-25)27-29-15-13-28(14-16-29)24-19-9-3-1-7-17(19)18-8-2-4-10-20(18)24/h1-12,24H,13-16H2,(H,26,27,30).
What are the key properties of 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one?
3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one has a molecular weight of 394.48 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one is sourced from PubChem (CID 135478235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).