1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one

C29H31N3O — CID 17370028

IUPAC1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one
SMILESCc1cc(C)cc(/N=C2\C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)c1
InChIInChI=1S/C29H31N3O/c1-21-16-22(2)18-25(17-21)30-28-26-10-6-7-11-27(26)32(29(28)33)20-31-14-12-24(13-15-31)19-23-8-4-3-5-9-23/h3-11,16-18,24H,12-15,19-20H2,1-2H3/b30-28-
InChIKeyJROKBDYPFBQXLA-HYOGKJQXSA-N
MW437.59 g/mol
LogP5.68
Rot. Bonds5

About 1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one

1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one (PubChem CID 17370028) has the molecular formula C29H31N3O and a molecular weight of 437.59 g/mol. Its IUPAC name is 1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one.

Molecular Properties

Compound Name1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one
PubChem CID17370028
Molecular FormulaC29H31N3O
Molecular Weight437.59 g/mol
Exact Mass437.25
IUPAC Name1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one
SMILESCc1cc(C)cc(/N=C2\C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)c1
InChIInChI=1S/C29H31N3O/c1-21-16-22(2)18-25(17-21)30-28-26-10-6-7-11-27(26)32(29(28)33)20-31-14-12-24(13-15-31)19-23-8-4-3-5-9-23/h3-11,16-18,24H,12-15,19-20H2,1-2H3/b30-28-
InChIKeyJROKBDYPFBQXLA-HYOGKJQXSA-N
XLogP5.68
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-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-[(4-benzylpiperidin-1-yl)methyl]-3-(3-chloro-4-methylphenyl)iminoindol-2-one
CID 1077253
1-[(4-benzylpiperidin-1-yl)methyl]-3-(3-fluorophenyl)iminoindol-2-one
CID 3611317
1-[(4-benzylpiperidin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]iminoindol-2-one
CID 3995392
2-[(4-benzylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 674319
1-[(4-benzylpiperazin-1-yl)methyl]-3-[4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]phenyl]iminoindol-2-one
CID 100817066
1-[(4-methylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 1041520
3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
CID 746190
3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 1250579
3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 17368140
3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
CID 1254994
3-(3-chloro-4-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 17385517
1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide
CID 17368139

Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one?
The IUPAC name of 1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one (CID 17370028) is 1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one.
What is the SMILES notation for 1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one?
The canonical SMILES for 1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one is Cc1cc(C)cc(/N=C2\C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)c1.
What is the InChIKey of 1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one?
The InChIKey is JROKBDYPFBQXLA-HYOGKJQXSA-N. The full InChI is InChI=1S/C29H31N3O/c1-21-16-22(2)18-25(17-21)30-28-26-10-6-7-11-27(26)32(29(28)33)20-31-14-12-24(13-15-31)19-23-8-4-3-5-9-23/h3-11,16-18,24H,12-15,19-20H2,1-2H3/b30-28-.
What are the key properties of 1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one?
1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one has a molecular weight of 437.59 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one is sourced from PubChem (CID 17370028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).