N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide

C17H24N4 — CID 110919550

IUPACN'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H24N4/c1-13-7-10-21(11-8-13)17(18)19-9-6-14-12-20-16-5-3-2-4-15(14)16/h2-5,12-13,20H,6-11H2,1H3,(H2,18,19)
InChIKeyYSYICMILQTTWQT-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.76
Rot. Bonds3

About N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110919550) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110919550
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H24N4/c1-13-7-10-21(11-8-13)17(18)19-9-6-14-12-20-16-5-3-2-4-15(14)16/h2-5,12-13,20H,6-11H2,1H3,(H2,18,19)
InChIKeyYSYICMILQTTWQT-UHFFFAOYSA-N
XLogP2.76
TPSA57.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.76
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'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide
CID 111108923
4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920739
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919750
(2S)-2-amino-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 22691497
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
4-ethoxy-N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111958119
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044889
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide
CID 111807074
2-(1H-indol-3-yl)-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053939
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide (CID 110919550) is N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is YSYICMILQTTWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-7-10-21(11-8-13)17(18)19-9-6-14-12-20-16-5-3-2-4-15(14)16/h2-5,12-13,20H,6-11H2,1H3,(H2,18,19).
What are the key properties of N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 284.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110919550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).