N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide

C20H30N4O2 — CID 111960341

IUPACN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(=O)N1CCc2ccccc21)N1CCC(OCC)CC1
InChIInChI=1S/C20H30N4O2/c1-3-21-20(23-12-10-17(11-13-23)26-4-2)22-15-19(25)24-14-9-16-7-5-6-8-18(16)24/h5-8,17H,3-4,9-15H2,1-2H3,(H,21,22)
InChIKeyVBOFFURRVBWLLN-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.04
Rot. Bonds5

About N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide

N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide (PubChem CID 111960341) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
PubChem CID111960341
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(=O)N1CCc2ccccc21)N1CCC(OCC)CC1
InChIInChI=1S/C20H30N4O2/c1-3-21-20(23-12-10-17(11-13-23)26-4-2)22-15-19(25)24-14-9-16-7-5-6-8-18(16)24/h5-8,17H,3-4,9-15H2,1-2H3,(H,21,22)
InChIKeyVBOFFURRVBWLLN-UHFFFAOYSA-N
XLogP2.04
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
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

(3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111550750
ethyl 1-[N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994482
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111731841
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111747869
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426560
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726127
N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide
CID 110984904
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-ethoxybutyl)-3-ethylguanidine
CID 111945787
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide
CID 111209985
N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide
CID 111958483
methyl 1-[N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111252143
1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-ethylguanidine;hydroiodide
CID 110966467

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide (CID 111960341) is N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide is CCN/C(=N\CC(=O)N1CCc2ccccc21)N1CCC(OCC)CC1.
What is the InChIKey of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide?
The InChIKey is VBOFFURRVBWLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-3-21-20(23-12-10-17(11-13-23)26-4-2)22-15-19(25)24-14-9-16-7-5-6-8-18(16)24/h5-8,17H,3-4,9-15H2,1-2H3,(H,21,22).
What are the key properties of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide?
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide has a molecular weight of 358.49 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111960341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).