N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C17H25IN4O — CID 111097798

IUPACN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(=O)N2CCc3ccccc32)C1.I
InChIInChI=1S/C17H24N4O.HI/c1-13-5-4-9-20(12-13)17(18)19-11-16(22)21-10-8-14-6-2-3-7-15(14)21;/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,18,19);1H
InChIKeyLDBLEDBKJCSWDZ-UHFFFAOYSA-N
MW428.32 g/mol
LogP2.24
Rot. Bonds2

About N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111097798) has the molecular formula C17H25IN4O and a molecular weight of 428.32 g/mol. Its IUPAC name is N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111097798
Molecular FormulaC17H25IN4O
Molecular Weight428.32 g/mol
Exact Mass428.11
IUPAC NameN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(=O)N2CCc3ccccc32)C1.I
InChIInChI=1S/C17H24N4O.HI/c1-13-5-4-9-20(12-13)17(18)19-11-16(22)21-10-8-14-6-2-3-7-15(14)21;/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,18,19);1H
InChIKeyLDBLEDBKJCSWDZ-UHFFFAOYSA-N
XLogP2.24
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 52.24
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide
CID 120661382
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide
CID 111097813
1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 47335819
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121329
ethyl 1-[N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994482
N'-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-3-methylpiperidine-1-carboximidamide
CID 111810724
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 108505638
1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 111097765
3-methyl-N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111092132
(3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111550750
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-methylphenyl)guanidine
CID 111097779

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111097798) is N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CC(=O)N2CCc3ccccc32)C1.I.
What is the InChIKey of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is LDBLEDBKJCSWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.HI/c1-13-5-4-9-20(12-13)17(18)19-11-16(22)21-10-8-14-6-2-3-7-15(14)21;/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,18,19);1H.
What are the key properties of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 428.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111097798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).