N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

C22H33N5O — CID 111263793

IUPACN'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCN/C(=N\CCN1CCN(C(C)=O)CC1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H33N5O/c1-3-23-22(24-11-14-25-15-17-26(18-16-25)19(2)28)27-12-9-21(10-13-27)20-7-5-4-6-8-20/h4-9H,3,10-18H2,1-2H3,(H,23,24)
InChIKeyWZQHWVJABIHYJF-UHFFFAOYSA-N
MW383.54 g/mol
LogP1.91
Rot. Bonds5

About N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 111263793) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID111263793
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCN/C(=N\CCN1CCN(C(C)=O)CC1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H33N5O/c1-3-23-22(24-11-14-25-15-17-26(18-16-25)19(2)28)27-12-9-21(10-13-27)20-7-5-4-6-8-20/h4-9H,3,10-18H2,1-2H3,(H,23,24)
InChIKeyWZQHWVJABIHYJF-UHFFFAOYSA-N
XLogP1.91
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.91
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

N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263811
N-ethyl-2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 111263362
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110946548
N-tert-butyl-2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 111263370
N-[2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111263280
N-ethyl-N'-(2-morpholin-4-ylsulfonylethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263835
N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111264039
1-[3-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 111263942
N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263895
N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263359
N-ethyl-4-phenyl-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263630
N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263432

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 111263793) is N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is CCN/C(=N\CCN1CCN(C(C)=O)CC1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is WZQHWVJABIHYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-3-23-22(24-11-14-25-15-17-26(18-16-25)19(2)28)27-12-9-21(10-13-27)20-7-5-4-6-8-20/h4-9H,3,10-18H2,1-2H3,(H,23,24).
What are the key properties of N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 383.54 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 111263793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).