3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one

C22H25N3O — CID 3545433

IUPAC3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
SMILESCc1ccccc1/N=C1\C(=O)N(CN2CCC(C)CC2)c2ccccc21
InChIInChI=1S/C22H25N3O/c1-16-11-13-24(14-12-16)15-25-20-10-6-4-8-18(20)21(22(25)26)23-19-9-5-3-7-17(19)2/h3-10,16H,11-15H2,1-2H3/b23-21-
InChIKeyZXVKRNDABOYCQB-LNVKXUELSA-N
MW347.46 g/mol
LogP4.15
Rot. Bonds3

About 3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one

3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one (PubChem CID 3545433) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one.

Molecular Properties

Compound Name3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
PubChem CID3545433
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
SMILESCc1ccccc1/N=C1\C(=O)N(CN2CCC(C)CC2)c2ccccc21
InChIInChI=1S/C22H25N3O/c1-16-11-13-24(14-12-16)15-25-20-10-6-4-8-18(20)21(22(25)26)23-19-9-5-3-7-17(19)2/h3-10,16H,11-15H2,1-2H3/b23-21-
InChIKeyZXVKRNDABOYCQB-LNVKXUELSA-N
XLogP4.15
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-indol-2-one
CID 3655995
3-ethyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 9799433
1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-dihydro-indol-2-one
CID 10042904
1-Methyl-3-[(methylphenylamino)azamethylene]benzo[d]azolin-2-one
CID 5331878
3-[(acetyloxy)imino]-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
CID 9581782
10-Methyl-3-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 9970667
1-(2-Propynyl)-3-{[3-(trifluoromethyl)phenyl]azamethylene}benzo[d]azolidin-2-one
CID 11544426
1,3-Dihydro-1-[1-(2-phenylethyl)-4-piperidinyl]-2H-indol-2-one
CID 12741865
1-[4-(3-Phenylpiperidin-1-yl)butyl]-1,3-dihydro-2H-indol-2-one
CID 42625267
1-[4-(4-Phenylpiperidin-1-yl)butyl]-1,3-dihydro-2H-indol-2-one
CID 42625359
1-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-indolin-2-one
CID 42626293
1-[5-(4-Phenylpiperazin-1-yl)pentyl]-1,3-dihydro-2H-indol-2-one
CID 42626361

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The IUPAC name of 3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one (CID 3545433) is 3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one.
What is the SMILES notation for 3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The canonical SMILES for 3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one is Cc1ccccc1/N=C1\C(=O)N(CN2CCC(C)CC2)c2ccccc21.
What is the InChIKey of 3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The InChIKey is ZXVKRNDABOYCQB-LNVKXUELSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-11-13-24(14-12-16)15-25-20-10-6-4-8-18(20)21(22(25)26)23-19-9-5-3-7-17(19)2/h3-10,16H,11-15H2,1-2H3/b23-21-.
What are the key properties of 3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one has a molecular weight of 347.46 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one is sourced from PubChem (CID 3545433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).