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

C24H33N5O2 — CID 109427187

IUPACN'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(N2CCOC(C)C2)nc1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C24H33N5O2/c1-19-18-29(14-15-30-19)23-9-8-20(16-26-23)17-27-24(25-2)28-12-10-22(11-13-28)31-21-6-4-3-5-7-21/h3-9,16,19,22H,10-15,17-18H2,1-2H3,(H,25,27)
InChIKeyJDMDHMDAYQCUJC-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.93
Rot. Bonds5

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

N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109427187) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide
PubChem CID109427187
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(N2CCOC(C)C2)nc1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C24H33N5O2/c1-19-18-29(14-15-30-19)23-9-8-20(16-26-23)17-27-24(25-2)28-12-10-22(11-13-28)31-21-6-4-3-5-7-21/h3-9,16,19,22H,10-15,17-18H2,1-2H3,(H,25,27)
InChIKeyJDMDHMDAYQCUJC-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.93
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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Launch Full Analysis

Related Compounds

N',4-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide
CID 111209772
N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426059
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448935
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111204927
ethyl 1-[N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111155316
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946387
3-(2-methoxyethoxymethyl)-N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111746939
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426339
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428118
N',2,2,3,3-pentamethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]azetidine-1-carboximidamide
CID 109453414
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
N',2,2,3,3-pentamethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453413

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide (CID 109427187) is N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide is C/N=C(\NCc1ccc(N2CCOC(C)C2)nc1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is JDMDHMDAYQCUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-19-18-29(14-15-30-19)23-9-8-20(16-26-23)17-27-24(25-2)28-12-10-22(11-13-28)31-21-6-4-3-5-7-21/h3-9,16,19,22H,10-15,17-18H2,1-2H3,(H,25,27).
What are the key properties of N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide?
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 423.56 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109427187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).