N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide

C18H26N4 — CID 111145802

IUPACN-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)N1CCCC(C)C1
InChIInChI=1S/C18H26N4/c1-3-19-18(22-10-6-7-14(2)13-22)20-12-16-11-15-8-4-5-9-17(15)21-16/h4-5,8-9,11,14,21H,3,6-7,10,12-13H2,1-2H3,(H,19,20)
InChIKeySMOIPBGRRAHVLV-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.37
Rot. Bonds3

About N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide

N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide (PubChem CID 111145802) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide
PubChem CID111145802
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)N1CCCC(C)C1
InChIInChI=1S/C18H26N4/c1-3-19-18(22-10-6-7-14(2)13-22)20-12-16-11-15-8-4-5-9-17(15)21-16/h4-5,8-9,11,14,21H,3,6-7,10,12-13H2,1-2H3,(H,19,20)
InChIKeySMOIPBGRRAHVLV-UHFFFAOYSA-N
XLogP3.37
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955580
N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109486190
N-ethyl-N'-(1H-indol-2-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378824
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111145326
N'-[[2-(ethoxymethyl)phenyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144139
N-ethyl-N'-[(4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144647
1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 110990559
N-ethyl-4-(furan-2-carbonyl)-N'-(1H-indol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111168658
N-ethyl-N'-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111143828
1-ethyl-2-(1H-indol-2-ylmethyl)-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111387575
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1H-indol-2-ylmethyl)guanidine;hydroiodide
CID 111260908
1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine
CID 111126946

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide (CID 111145802) is N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide is CCN/C(=N\Cc1cc2ccccc2[nH]1)N1CCCC(C)C1.
What is the InChIKey of N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide?
The InChIKey is SMOIPBGRRAHVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-3-19-18(22-10-6-7-14(2)13-22)20-12-16-11-15-8-4-5-9-17(15)21-16/h4-5,8-9,11,14,21H,3,6-7,10,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide?
N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide has a molecular weight of 298.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111145802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).