N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide

C19H30N4O — CID 110983612

IUPACN-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CCCN1CCC(O)CC1)N1CCc2ccccc21
InChIInChI=1S/C19H30N4O/c1-2-20-19(23-15-8-16-6-3-4-7-18(16)23)21-11-5-12-22-13-9-17(24)10-14-22/h3-4,6-7,17,24H,2,5,8-15H2,1H3,(H,20,21)
InChIKeyGBXPCXJEXIGPDQ-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.86
Rot. Bonds5

About N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide

N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983612) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110983612
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CCCN1CCC(O)CC1)N1CCc2ccccc21
InChIInChI=1S/C19H30N4O/c1-2-20-19(23-15-8-16-6-3-4-7-18(16)23)21-11-5-12-22-13-9-17(24)10-14-22/h3-4,6-7,17,24H,2,5,8-15H2,1H3,(H,20,21)
InChIKeyGBXPCXJEXIGPDQ-UHFFFAOYSA-N
XLogP1.86
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 110983760
N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110984024
N-ethyl-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985179
N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110983746
N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984117
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 111495414
N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983830
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983624
N-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429
N-ethyl-N'-[3-(methanesulfonamido)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983998

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide (CID 110983612) is N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide is CCN/C(=N\CCCN1CCC(O)CC1)N1CCc2ccccc21.
What is the InChIKey of N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is GBXPCXJEXIGPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-2-20-19(23-15-8-16-6-3-4-7-18(16)23)21-11-5-12-22-13-9-17(24)10-14-22/h3-4,6-7,17,24H,2,5,8-15H2,1H3,(H,20,21).
What are the key properties of N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide?
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 330.48 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).