3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one

C22H25N3O — CID 713872

IUPAC3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one
SMILESCc1ccc(/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1C
InChIInChI=1S/C22H25N3O/c1-16-10-11-18(14-17(16)2)23-21-19-8-4-5-9-20(19)25(22(21)26)15-24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3/b23-21-
InChIKeyQSKHOCJEPDHSIP-LNVKXUELSA-N
MW347.46 g/mol
LogP4.21
Rot. Bonds3

About 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one

3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one (PubChem CID 713872) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one
PubChem CID713872
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one
SMILESCc1ccc(/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1C
InChIInChI=1S/C22H25N3O/c1-16-10-11-18(14-17(16)2)23-21-19-8-4-5-9-20(19)25(22(21)26)15-24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3/b23-21-
InChIKeyQSKHOCJEPDHSIP-LNVKXUELSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)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

3-((3,4-Dimethylphenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 135406017
1-[(E)-6-(3,4-dihydro-1H-isoquinolin-2-yl)hex-3-enyl]-3H-indol-2-one
CID 102364516
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3H-indol-2-one
CID 42625440
1-(Ethylpropyl)-3-{[3-(trifluoromethyl)phenyl]azamethylene}benzo[d]azolidin-2-one
CID 44412817
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one
CID 118709739
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-3H-indol-2-one
CID 118709740
1-[7-(3,4-dihydro-1H-isoquinolin-2-yl)heptyl]-3H-indol-2-one
CID 118709752
N-benzyl-1-methyl-2-oxoindol-3-imine oxide
CID 145981593
N-(3,4-dimethylphenyl)-2-[3-(2,5-dimethylphenyl)imino-2-oxoindol-1-yl]acetamide
CID 156014064
N-(3,4-dimethylphenyl)-2-(2-oxo-3-phenyliminoindol-1-yl)acetamide
CID 156021719
Indol-2(3H)-one, 1-diethylaminomethyl-3-(3-trifluoromethylphenylimino)-
CID 559521
1-methyl-3-[(4-methylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 2816035

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one?
The IUPAC name of 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one (CID 713872) is 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one is Cc1ccc(/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one?
The InChIKey is QSKHOCJEPDHSIP-LNVKXUELSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-10-11-18(14-17(16)2)23-21-19-8-4-5-9-20(19)25(22(21)26)15-24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3/b23-21-.
What are the key properties of 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one?
3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one has a molecular weight of 347.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one is sourced from PubChem (CID 713872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).