3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one

C18H18N4O — CID 135455698

IUPAC3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18N4O/c23-18-17(15-8-4-5-9-16(15)19-18)20-22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20,23)
InChIKeyJMYSWOYKPKPTLN-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.16
Rot. Bonds2

About 3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one

3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one (PubChem CID 135455698) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one
PubChem CID135455698
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18N4O/c23-18-17(15-8-4-5-9-16(15)19-18)20-22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20,23)
InChIKeyJMYSWOYKPKPTLN-UHFFFAOYSA-N
XLogP2.16
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.16
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-benzylpiperazin-1-yl)imino-1H-indol-2-one
CID 135505311
3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
CID 135478235
(3E)-3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
CID 135488924
2-[(2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135484693
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione
CID 135956380
3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one
CID 135582235
3-[4-[4-[4-[(2-oxo-1H-indol-3-ylidene)amino]benzoyl]piperazine-1-carbonyl]phenyl]imino-1H-indol-2-one
CID 137144313
(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
CID 2379240
3-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]methylidene]-1H-indol-2-one
CID 57226033
(3R)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 51829815
3-(4-benzylpiperazin-1-yl)imino-5-nitro-1H-indol-2-one
CID 135412395

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one?
The IUPAC name of 3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one (CID 135455698) is 3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one?
The canonical SMILES for 3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one is O=C1Nc2ccccc2C1=NN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one?
The InChIKey is JMYSWOYKPKPTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18-17(15-8-4-5-9-16(15)19-18)20-22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20,23).
What are the key properties of 3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one?
3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one has a molecular weight of 306.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one is sourced from PubChem (CID 135455698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).