(3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one

C15H19N3O — CID 113196779

IUPAC(3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one
SMILESCc1ccc2c(c1)NC(=O)/C2=C/N1CCN(C)CC1
InChIInChI=1S/C15H19N3O/c1-11-3-4-12-13(15(19)16-14(12)9-11)10-18-7-5-17(2)6-8-18/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)/b13-10+
InChIKeySWJHPAKDFRZDPM-JLHYYAGUSA-N
MW257.34 g/mol
LogP1.54
Rot. Bonds1

About (3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one

(3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one (PubChem CID 113196779) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one
PubChem CID113196779
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one
SMILESCc1ccc2c(c1)NC(=O)/C2=C/N1CCN(C)CC1
InChIInChI=1S/C15H19N3O/c1-11-3-4-12-13(15(19)16-14(12)9-11)10-18-7-5-17(2)6-8-18/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)/b13-10+
InChIKeySWJHPAKDFRZDPM-JLHYYAGUSA-N
XLogP1.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one
CID 113195888
(3E)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methylidene]-6-methyl-1H-indol-2-one
CID 113196827
3-benzylidene-6-methyl-1H-indol-2-one
CID 71248660
(3E)-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methylidene]-5-methyl-1H-indol-2-one
CID 113196626
(3E)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methylidene]-5-methyl-1H-indol-2-one
CID 113196627
5-[(4-methylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 944228
5-[(4-methylpiperazin-1-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 75137192
(5E)-5-[(4-methylpiperazin-1-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 91820818
3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione
CID 3250934
(3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one
CID 113196375
(3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one
CID 113217895
3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 102201701

Frequently Asked Questions

What is the IUPAC name of (3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one (CID 113196779) is (3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one is Cc1ccc2c(c1)NC(=O)/C2=C/N1CCN(C)CC1.
What is the InChIKey of (3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one?
The InChIKey is SWJHPAKDFRZDPM-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-3-4-12-13(15(19)16-14(12)9-11)10-18-7-5-17(2)6-8-18/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)/b13-10+.
What are the key properties of (3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one?
(3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one has a molecular weight of 257.34 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 113196779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).