6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one

C21H24N4O — CID 123427028

IUPAC6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESCN1CCC(/N=C(\c2ccccc2)C2C(=O)Nc3cc(N)ccc32)CC1
InChIInChI=1S/C21H24N4O/c1-25-11-9-16(10-12-25)23-20(14-5-3-2-4-6-14)19-17-8-7-15(22)13-18(17)24-21(19)26/h2-8,13,16,19H,9-12,22H2,1H3,(H,24,26)/b23-20+
InChIKeyXKWWQYJNQXHJDK-BSYVCWPDSA-N
MW348.45 g/mol
LogP2.89
Rot. Bonds3

About 6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one

6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one (PubChem CID 123427028) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
PubChem CID123427028
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESCN1CCC(/N=C(\c2ccccc2)C2C(=O)Nc3cc(N)ccc32)CC1
InChIInChI=1S/C21H24N4O/c1-25-11-9-16(10-12-25)23-20(14-5-3-2-4-6-14)19-17-8-7-15(22)13-18(17)24-21(19)26/h2-8,13,16,19H,9-12,22H2,1H3,(H,24,26)/b23-20+
InChIKeyXKWWQYJNQXHJDK-BSYVCWPDSA-N
XLogP2.89
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[(6-amino-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzoate
CID 91410276
5-acetyl-3-[N-(4-methylpiperazin-1-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 91250525
3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 123880559
6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 90849989
methyl 3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 123359946
N-[2,6-dibromo-4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 91551034
5-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-2-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]benzamide
CID 90981549
methyl 3-[N-(4-carbamoylphenyl)-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91376806
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 90933134
3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide
CID 91146373
6-chloro-3-[N-(4-iodophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 91458345
2-[4-(2-aminoethyl)piperazin-1-yl]-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methylacetamide
CID 91187464

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one (CID 123427028) is 6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one is CN1CCC(/N=C(\c2ccccc2)C2C(=O)Nc3cc(N)ccc32)CC1.
What is the InChIKey of 6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
The InChIKey is XKWWQYJNQXHJDK-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H24N4O/c1-25-11-9-16(10-12-25)23-20(14-5-3-2-4-6-14)19-17-8-7-15(22)13-18(17)24-21(19)26/h2-8,13,16,19H,9-12,22H2,1H3,(H,24,26)/b23-20+.
What are the key properties of 6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one has a molecular weight of 348.45 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[N-(1-methylpiperidin-4-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 123427028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).