N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

C25H40N4O3 — CID 109447431

IUPACN'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESC/N=C(\NCC(c1ccccc1)N1CCOCC1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C25H40N4O3/c1-26-25(29-12-10-22(11-13-29)32-20-23-9-5-6-16-31-23)27-19-24(21-7-3-2-4-8-21)28-14-17-30-18-15-28/h2-4,7-8,22-24H,5-6,9-20H2,1H3,(H,26,27)
InChIKeyOVYKYZDJRSVLAP-UHFFFAOYSA-N
MW444.62 g/mol
LogP2.69
Rot. Bonds7

About N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 109447431) has the molecular formula C25H40N4O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID109447431
Molecular FormulaC25H40N4O3
Molecular Weight444.62 g/mol
Exact Mass444.31
IUPAC NameN'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESC/N=C(\NCC(c1ccccc1)N1CCOCC1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C25H40N4O3/c1-26-25(29-12-10-22(11-13-29)32-20-23-9-5-6-16-31-23)27-19-24(21-7-3-2-4-8-21)28-14-17-30-18-15-28/h2-4,7-8,22-24H,5-6,9-20H2,1H3,(H,26,27)
InChIKeyOVYKYZDJRSVLAP-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 52.69
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'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447826
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447379
N'-methyl-4-(oxan-2-ylmethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109449296
N'-methyl-4-(oxan-2-ylmethoxy)-N-(2-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 109447736
N-(2,2-difluoroethyl)-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448276
N'-methyl-4-(oxan-2-ylmethoxy)-N-(2-thiophen-2-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 109447746
N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449617
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722762
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442178
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109446903
N'-methyl-4-(oxan-2-ylmethoxy)-N-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 109448364
N-[(2-chlorophenyl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448859

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (CID 109447431) is N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is C/N=C(\NCC(c1ccccc1)N1CCOCC1)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is OVYKYZDJRSVLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3/c1-26-25(29-12-10-22(11-13-29)32-20-23-9-5-6-16-31-23)27-19-24(21-7-3-2-4-8-21)28-14-17-30-18-15-28/h2-4,7-8,22-24H,5-6,9-20H2,1H3,(H,26,27).
What are the key properties of N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 444.62 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 109447431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).