N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide

C20H32N4 — CID 110983752

IUPACN'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCCCCN1CCCC(C)C1)N1CCc2ccccc21
InChIInChI=1S/C20H32N4/c1-17-8-7-14-23(16-17)13-6-5-12-22-20(21-2)24-15-11-18-9-3-4-10-19(18)24/h3-4,9-10,17H,5-8,11-16H2,1-2H3,(H,21,22)
InChIKeyXLKBWRFDAFOHET-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.14
Rot. Bonds5

About N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide

N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983752) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110983752
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC NameN'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCCCCN1CCCC(C)C1)N1CCc2ccccc21
InChIInChI=1S/C20H32N4/c1-17-8-7-14-23(16-17)13-6-5-12-22-20(21-2)24-15-11-18-9-3-4-10-19(18)24/h3-4,9-10,17H,5-8,11-16H2,1-2H3,(H,21,22)
InChIKeyXLKBWRFDAFOHET-UHFFFAOYSA-N
XLogP3.14
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide 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

N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110983754
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997
N',3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111143864
methyl 5-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 110983814
N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 109480237
N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 110983412
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145101
N',3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111145115
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2,3-dihydroindole-1-carboxamide
CID 60576930
6,7-dimethoxy-N'-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269551
4-(3-methoxyphenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111290604

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide (CID 110983752) is N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCCCCN1CCCC(C)C1)N1CCc2ccccc21.
What is the InChIKey of N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is XLKBWRFDAFOHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-17-8-7-14-23(16-17)13-6-5-12-22-20(21-2)24-15-11-18-9-3-4-10-19(18)24/h3-4,9-10,17H,5-8,11-16H2,1-2H3,(H,21,22).
What are the key properties of N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide?
N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 328.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).