1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol

C20H23N5O — CID 3292938

IUPAC1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol
SMILESCN1CCN(Cn2c(O)c(/N=N/c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C20H23N5O/c1-23-11-13-24(14-12-23)15-25-18-10-6-5-9-17(18)19(20(25)26)22-21-16-7-3-2-4-8-16/h2-10,26H,11-15H2,1H3/b22-21+
InChIKeyAIGVNMGKWVLLAA-QURGRASLSA-N
MW349.44 g/mol
LogP3.97
Rot. Bonds4

About 1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol

1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol (PubChem CID 3292938) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol.

Molecular Properties

Compound Name1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol
PubChem CID3292938
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol
SMILESCN1CCN(Cn2c(O)c(/N=N/c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C20H23N5O/c1-23-11-13-24(14-12-23)15-25-18-10-6-5-9-17(18)19(20(25)26)22-21-16-7-3-2-4-8-16/h2-10,26H,11-15H2,1H3/b22-21+
InChIKeyAIGVNMGKWVLLAA-QURGRASLSA-N
XLogP3.97
TPSA56.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(1-Hexyl-2-oxoindolin-3-ylidene)benzohydrazide
CID 135743701
Methisazone
CID 667492
Bzo-poxizid
CID 2691386
Bzo-chmoxizid
CID 135881485
1-Methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 2767481
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
(E)-1-benzyl-3-(hydroxyimino)indolin-2-one
CID 921636
(Z)-3-(Hydroxyimino)-1-methylindolin-2-one
CID 18631
2(4-Benzyl-1-piperazinyl)N'-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide
CID 1034069
1-Ethyl-3-hydrazono-1,3-dihydro-indol-2-one
CID 2386107
(3Z)-3-[(2-hydroxyphenyl)hydrazinylidene]-1-prop-2-enylindol-2-one
CID 135857069
2-(3-Hydrazono-2-oxo-2,3-dihydro-indol-1-yl)-N-phenyl-acetamide
CID 678592

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol?
The IUPAC name of 1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol (CID 3292938) is 1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol.
What is the SMILES notation for 1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol?
The canonical SMILES for 1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol is CN1CCN(Cn2c(O)c(/N=N/c3ccccc3)c3ccccc32)CC1.
What is the InChIKey of 1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol?
The InChIKey is AIGVNMGKWVLLAA-QURGRASLSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23-11-13-24(14-12-23)15-25-18-10-6-5-9-17(18)19(20(25)26)22-21-16-7-3-2-4-8-16/h2-10,26H,11-15H2,1H3/b22-21+.
What are the key properties of 1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol?
1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol has a molecular weight of 349.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol is sourced from PubChem (CID 3292938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).