N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide

C20H34N4O3 — CID 109392432

IUPACN'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CCC1=CCOCC1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H34N4O3/c1-2-21-20(22-8-3-17-6-13-26-14-7-17)24-9-4-18(5-10-24)19(25)23-11-15-27-16-12-23/h6,18H,2-5,7-16H2,1H3,(H,21,22)
InChIKeyHYLDKKATYBNZKG-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.26
Rot. Bonds5

About N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide

N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide (PubChem CID 109392432) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
PubChem CID109392432
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CCC1=CCOCC1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H34N4O3/c1-2-21-20(22-8-3-17-6-13-26-14-7-17)24-9-4-18(5-10-24)19(25)23-11-15-27-16-12-23/h6,18H,2-5,7-16H2,1H3,(H,21,22)
InChIKeyHYLDKKATYBNZKG-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 109391912
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide
CID 109395042
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 109395607
3-(diethylamino)-N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 109393964
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 109395668
4-benzyl-N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 109391521
4-benzylidene-N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 109414750
N-ethyl-N'-(3-hydroxy-2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346416
N'-[(4-cyanophenyl)methyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346494
N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide
CID 111346485
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480509
N'-[2-(4-chlorophenoxy)propyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111516542

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide (CID 109392432) is N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide is CCN/C(=N\CCC1=CCOCC1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide?
The InChIKey is HYLDKKATYBNZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-2-21-20(22-8-3-17-6-13-26-14-7-17)24-9-4-18(5-10-24)19(25)23-11-15-27-16-12-23/h6,18H,2-5,7-16H2,1H3,(H,21,22).
What are the key properties of N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide?
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide has a molecular weight of 378.52 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide is sourced from PubChem (CID 109392432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).