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

C22H25N3O2 — CID 1250579

IUPAC3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)N(CN3CCC(C)CC3)c3ccccc32)cc1
InChIInChI=1S/C22H25N3O2/c1-16-11-13-24(14-12-16)15-25-20-6-4-3-5-19(20)21(22(25)26)23-17-7-9-18(27-2)10-8-17/h3-10,16H,11-15H2,1-2H3/b23-21-
InChIKeyNZMLRIIZDIXPHY-LNVKXUELSA-N
MW363.46 g/mol
LogP3.85
Rot. Bonds4

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

3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one (PubChem CID 1250579) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
PubChem CID1250579
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)N(CN3CCC(C)CC3)c3ccccc32)cc1
InChIInChI=1S/C22H25N3O2/c1-16-11-13-24(14-12-16)15-25-20-6-4-3-5-19(20)21(22(25)26)23-17-7-9-18(27-2)10-8-17/h3-10,16H,11-15H2,1-2H3/b23-21-
InChIKeyNZMLRIIZDIXPHY-LNVKXUELSA-N
XLogP3.85
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The IUPAC name of 3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one (CID 1250579) is 3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one is COc1ccc(/N=C2\C(=O)N(CN3CCC(C)CC3)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The InChIKey is NZMLRIIZDIXPHY-LNVKXUELSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-11-13-24(14-12-16)15-25-20-6-4-3-5-19(20)21(22(25)26)23-17-7-9-18(27-2)10-8-17/h3-10,16H,11-15H2,1-2H3/b23-21-.
What are the key properties of 3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one is sourced from PubChem (CID 1250579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).