1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one

C21H23N3O — CID 701722

IUPAC1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one
SMILESCC1CCN(CN2C(=O)/C(=N/c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C21H23N3O/c1-16-11-13-23(14-12-16)15-24-19-10-6-5-9-18(19)20(21(24)25)22-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/b22-20+
InChIKeyVDQYHWZTJISQLS-LSDHQDQOSA-N
MW333.44 g/mol
LogP3.84
Rot. Bonds3

About 1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one

1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one (PubChem CID 701722) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one.

Molecular Properties

Compound Name1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one
PubChem CID701722
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one
SMILESCC1CCN(CN2C(=O)/C(=N/c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C21H23N3O/c1-16-11-13-23(14-12-16)15-24-19-10-6-5-9-18(19)20(21(24)25)22-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/b22-20+
InChIKeyVDQYHWZTJISQLS-LSDHQDQOSA-N
XLogP3.84
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-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 1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one?
The IUPAC name of 1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one (CID 701722) is 1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one.
What is the SMILES notation for 1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one?
The canonical SMILES for 1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one is CC1CCN(CN2C(=O)/C(=N/c3ccccc3)c3ccccc32)CC1.
What is the InChIKey of 1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one?
The InChIKey is VDQYHWZTJISQLS-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-11-13-23(14-12-16)15-24-19-10-6-5-9-18(19)20(21(24)25)22-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/b22-20+.
What are the key properties of 1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one?
1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one has a molecular weight of 333.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperidin-1-yl)methyl]-3-phenyliminoindol-2-one is sourced from PubChem (CID 701722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).