4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide

C22H30N4O2 — CID 111959461

IUPAC4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCc2ccnc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C22H30N4O2/c1-3-27-20-10-13-26(14-11-20)22(23-2)25-16-19-9-12-24-21(15-19)28-17-18-7-5-4-6-8-18/h4-9,12,15,20H,3,10-11,13-14,16-17H2,1-2H3,(H,23,25)
InChIKeyHHKGZUIMYCPIFT-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.24
Rot. Bonds7

About 4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide

4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide (PubChem CID 111959461) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide
PubChem CID111959461
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCc2ccnc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C22H30N4O2/c1-3-27-20-10-13-26(14-11-20)22(23-2)25-16-19-9-12-24-21(15-19)28-17-18-7-5-4-6-8-18/h4-9,12,15,20H,3,10-11,13-14,16-17H2,1-2H3,(H,23,25)
InChIKeyHHKGZUIMYCPIFT-UHFFFAOYSA-N
XLogP3.24
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.24
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'}

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Related Compounds

4-ethoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958532
N'-methyl-3-(phenylmethoxymethyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 111526272
N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221417
4-ethoxy-N'-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111959083
N-[(1-benzylpyrazol-4-yl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959155
N-[(2-ethoxy-4-pyridinyl)methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263264
N-benzyl-3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111960875
4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111959758
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114503
4-ethoxy-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960132
4-ethoxy-N'-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111960131
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 109435087

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide (CID 111959461) is 4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCc2ccnc(OCc3ccccc3)c2)CC1.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide?
The InChIKey is HHKGZUIMYCPIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-27-20-10-13-26(14-11-20)22(23-2)25-16-19-9-12-24-21(15-19)28-17-18-7-5-4-6-8-18/h4-9,12,15,20H,3,10-11,13-14,16-17H2,1-2H3,(H,23,25).
What are the key properties of 4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide?
4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide has a molecular weight of 382.51 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111959461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).