N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

C25H38N4O2 — CID 109449171

IUPACN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESCCc1cccc2c(CCN/C(=N/C)N3CCC(OCC4CCCCO4)CC3)c[nH]c12
InChIInChI=1S/C25H38N4O2/c1-3-19-7-6-9-23-20(17-28-24(19)23)10-13-27-25(26-2)29-14-11-21(12-15-29)31-18-22-8-4-5-16-30-22/h6-7,9,17,21-22,28H,3-5,8,10-16,18H2,1-2H3,(H,26,27)
InChIKeyGTFPXSQINOTLAS-UHFFFAOYSA-N
MW426.61 g/mol
LogP3.90
Rot. Bonds7

About N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 109449171) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID109449171
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESCCc1cccc2c(CCN/C(=N/C)N3CCC(OCC4CCCCO4)CC3)c[nH]c12
InChIInChI=1S/C25H38N4O2/c1-3-19-7-6-9-23-20(17-28-24(19)23)10-13-27-25(26-2)29-14-11-21(12-15-29)31-18-22-8-4-5-16-30-22/h6-7,9,17,21-22,28H,3-5,8,10-16,18H2,1-2H3,(H,26,27)
InChIKeyGTFPXSQINOTLAS-UHFFFAOYSA-N
XLogP3.90
TPSA61.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[2-(2-chlorophenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109446754
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111117711
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111117710
N'-methyl-N-(naphthalen-1-ylmethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448727
N-[3-(2,6-dimethylphenoxy)propyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447451
N-[3-(2-chlorophenyl)propyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109446659
N-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449159
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447895
N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-(3-propoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 109447165
N,N-dimethyl-3-[2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109448746
N-[2-(3,5-dichlorophenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449783
N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109446785

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (CID 109449171) is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is CCc1cccc2c(CCN/C(=N/C)N3CCC(OCC4CCCCO4)CC3)c[nH]c12.
What is the InChIKey of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is GTFPXSQINOTLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-3-19-7-6-9-23-20(17-28-24(19)23)10-13-27-25(26-2)29-14-11-21(12-15-29)31-18-22-8-4-5-16-30-22/h6-7,9,17,21-22,28H,3-5,8,10-16,18H2,1-2H3,(H,26,27).
What are the key properties of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 426.61 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 109449171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).