N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

C24H39N5O3 — CID 109448935

IUPACN'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESC/N=C(/NCc1ccc(N2CCOC(C)C2)nc1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C24H39N5O3/c1-19-17-29(12-14-30-19)23-7-6-20(15-26-23)16-27-24(25-2)28-10-8-21(9-11-28)32-18-22-5-3-4-13-31-22/h6-7,15,19,21-22H,3-5,8-14,16-18H2,1-2H3,(H,25,27)
InChIKeySOZLYYDDOGPWNX-UHFFFAOYSA-N
MW445.61 g/mol
LogP2.43
Rot. Bonds6

About N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 109448935) has the molecular formula C24H39N5O3 and a molecular weight of 445.61 g/mol. Its IUPAC name is N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID109448935
Molecular FormulaC24H39N5O3
Molecular Weight445.61 g/mol
Exact Mass445.31
IUPAC NameN'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESC/N=C(/NCc1ccc(N2CCOC(C)C2)nc1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C24H39N5O3/c1-19-17-29(12-14-30-19)23-7-6-20(15-26-23)16-27-24(25-2)28-10-8-21(9-11-28)32-18-22-5-3-4-13-31-22/h6-7,15,19,21-22H,3-5,8-14,16-18H2,1-2H3,(H,25,27)
InChIKeySOZLYYDDOGPWNX-UHFFFAOYSA-N
XLogP2.43
TPSA71.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide with MolForge

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Launch Full Analysis

Related Compounds

N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447468
N',4-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide
CID 111209772
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427187
N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447877
N'-methyl-N-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450151
ethyl 1-[N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111155316
N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide
CID 109448301
3-(2-methoxyethoxymethyl)-N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111746939
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111204927
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448427
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744843

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (CID 109448935) is N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is C/N=C(/NCc1ccc(N2CCOC(C)C2)nc1)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is SOZLYYDDOGPWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O3/c1-19-17-29(12-14-30-19)23-7-6-20(15-26-23)16-27-24(25-2)28-10-8-21(9-11-28)32-18-22-5-3-4-13-31-22/h6-7,15,19,21-22H,3-5,8-14,16-18H2,1-2H3,(H,25,27).
What are the key properties of N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 445.61 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 109448935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).