1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide

C22H23FN4O2 — CID 91393535

IUPAC1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide
SMILESCc1cc(/N=C/C2C(=O)Nc3ccc(F)cc32)ccc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C22H23FN4O2/c1-13-9-16(5-7-20(13)27-8-2-3-14(12-27)21(24)28)25-11-18-17-10-15(23)4-6-19(17)26-22(18)29/h4-7,9-11,14,18H,2-3,8,12H2,1H3,(H2,24,28)(H,26,29)/b25-11+
InChIKeyHYFVYKIMVPQFGA-OPEKNORGSA-N
MW394.45 g/mol
LogP3.27
Rot. Bonds4

About 1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide

1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide (PubChem CID 91393535) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide
PubChem CID91393535
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide
SMILESCc1cc(/N=C/C2C(=O)Nc3ccc(F)cc32)ccc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C22H23FN4O2/c1-13-9-16(5-7-20(13)27-8-2-3-14(12-27)21(24)28)25-11-18-17-10-15(23)4-6-19(17)26-22(18)29/h4-7,9-11,14,18H,2-3,8,12H2,1H3,(H2,24,28)(H,26,29)/b25-11+
InChIKeyHYFVYKIMVPQFGA-OPEKNORGSA-N
XLogP3.27
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide 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-[[4-[3-(diethylamino)pyrrolidin-1-yl]-3-methylphenyl]iminomethyl]-5-fluoro-1,3-dihydroindol-2-one
CID 91429971
6-fluoro-3-[[3-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91469809
4-fluoro-3-[[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91600402
5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91149648
5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91504086
5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 91132668
3-[[4-(4-butan-2-ylpiperazin-1-yl)-3-methylphenyl]iminomethyl]-4-fluoro-1,3-dihydroindol-2-one
CID 90871001
3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90992179
3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90708413
3-[[4-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]-3-methylphenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 90718823
1-[3-(methylamino)-2-oxo-1,3-dihydroindol-6-yl]piperidine-3-carboxamide
CID 43586522
3-[[4-[butyl(ethyl)amino]-3-fluorophenyl]iminomethyl]-5-fluoro-1,3-dihydroindol-2-one
CID 91343024

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide (CID 91393535) is 1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide is Cc1cc(/N=C/C2C(=O)Nc3ccc(F)cc32)ccc1N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide?
The InChIKey is HYFVYKIMVPQFGA-OPEKNORGSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-13-9-16(5-7-20(13)27-8-2-3-14(12-27)21(24)28)25-11-18-17-10-15(23)4-6-19(17)26-22(18)29/h4-7,9-11,14,18H,2-3,8,12H2,1H3,(H2,24,28)(H,26,29)/b25-11+.
What are the key properties of 1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide?
1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide is sourced from PubChem (CID 91393535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).