(3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one

C21H25N5O — CID 17370151

IUPAC(3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
SMILESCN(C)/N=C1\C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H25N5O/c1-23(2)22-20-18-10-6-7-11-19(18)26(21(20)27)16-24-12-14-25(15-13-24)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3/b22-20-
InChIKeyCTKUEQNSDHIPJC-XDOYNYLZSA-N
MW363.47 g/mol
LogP2.08
Rot. Bonds4

About (3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one

(3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one (PubChem CID 17370151) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is (3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
PubChem CID17370151
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name(3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
SMILESCN(C)/N=C1\C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H25N5O/c1-23(2)22-20-18-10-6-7-11-19(18)26(21(20)27)16-24-12-14-25(15-13-24)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3/b22-20-
InChIKeyCTKUEQNSDHIPJC-XDOYNYLZSA-N
XLogP2.08
TPSA42.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
The IUPAC name of (3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one (CID 17370151) is (3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one.
What is the SMILES notation for (3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
The canonical SMILES for (3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one is CN(C)/N=C1\C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of (3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
The InChIKey is CTKUEQNSDHIPJC-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H25N5O/c1-23(2)22-20-18-10-6-7-11-19(18)26(21(20)27)16-24-12-14-25(15-13-24)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3/b22-20-.
What are the key properties of (3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
(3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one has a molecular weight of 363.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(dimethylhydrazinylidene)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one is sourced from PubChem (CID 17370151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).