N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

C23H44N4O3 — CID 109447015

IUPACN-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESCCN/C(=N\CC(C(C)C)N1CCOCC1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C23H44N4O3/c1-4-24-23(25-17-22(19(2)3)26-12-15-28-16-13-26)27-10-8-20(9-11-27)30-18-21-7-5-6-14-29-21/h19-22H,4-18H2,1-3H3,(H,24,25)
InChIKeyAUPBPTZVWAFKMY-UHFFFAOYSA-N
MW424.63 g/mol
LogP2.36
Rot. Bonds8

About N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 109447015) has the molecular formula C23H44N4O3 and a molecular weight of 424.63 g/mol. Its IUPAC name is N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID109447015
Molecular FormulaC23H44N4O3
Molecular Weight424.63 g/mol
Exact Mass424.34
IUPAC NameN-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESCCN/C(=N\CC(C(C)C)N1CCOCC1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C23H44N4O3/c1-4-24-23(25-17-22(19(2)3)26-12-15-28-16-13-26)27-10-8-20(9-11-27)30-18-21-7-5-6-14-29-21/h19-22H,4-18H2,1-3H3,(H,24,25)
InChIKeyAUPBPTZVWAFKMY-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[2-(2-hydroxyethyl)-4-methylpentyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449830
N-ethyl-N'-(2-hydroxyethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448641
N-ethyl-N'-(2-methyl-3-piperidin-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448545
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448546
N'-(3-cyclopentyloxypropyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449097
N-ethyl-2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109447610
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide
CID 109449403
N-ethyl-N'-(2-methylsulfonylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447116
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447112
N-ethyl-N'-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448948
N'-[4-(dimethylamino)-2-ethoxybutyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109446934
N-ethyl-N'-(3-methylsulfanylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447554

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (CID 109447015) is N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is CCN/C(=N\CC(C(C)C)N1CCOCC1)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is AUPBPTZVWAFKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O3/c1-4-24-23(25-17-22(19(2)3)26-12-15-28-16-13-26)27-10-8-20(9-11-27)30-18-21-7-5-6-14-29-21/h19-22H,4-18H2,1-3H3,(H,24,25).
What are the key properties of N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 424.63 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 109447015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).