N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide

C23H28N4O — CID 110984418

IUPACN'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccc(C(=O)N2CCCCC2)cc1)N1CCc2ccccc21
InChIInChI=1S/C23H28N4O/c1-24-23(27-16-13-19-7-3-4-8-21(19)27)25-17-18-9-11-20(12-10-18)22(28)26-14-5-2-6-15-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,24,25)
InChIKeyCRLYCWFUASRQEX-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.45
Rot. Bonds3

About N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide

N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110984418) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110984418
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccc(C(=O)N2CCCCC2)cc1)N1CCc2ccccc21
InChIInChI=1S/C23H28N4O/c1-24-23(27-16-13-19-7-3-4-8-21(19)27)25-17-18-9-11-20(12-10-18)22(28)26-14-5-2-6-15-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,24,25)
InChIKeyCRLYCWFUASRQEX-UHFFFAOYSA-N
XLogP3.45
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide
CID 110983330
N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 119116385
N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984645
1-benzyl-2-methyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 110953717
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 54835226
N',3,3-trimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738399
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205148
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983456
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744424
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984294
N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide (CID 110984418) is N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCc1ccc(C(=O)N2CCCCC2)cc1)N1CCc2ccccc21.
What is the InChIKey of N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is CRLYCWFUASRQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-24-23(27-16-13-19-7-3-4-8-21(19)27)25-17-18-9-11-20(12-10-18)22(28)26-14-5-2-6-15-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,24,25).
What are the key properties of N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide?
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 376.50 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110984418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).