N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide

C26H35N3O2 — CID 109426048

IUPACN'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(/NCC1(c2ccccc2C)CCOCC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C26H35N3O2/c1-21-8-6-7-11-24(21)26(14-18-30-19-15-26)20-28-25(27-2)29-16-12-23(13-17-29)31-22-9-4-3-5-10-22/h3-11,23H,12-20H2,1-2H3,(H,27,28)
InChIKeyVJKDQENWEVSXQF-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.16
Rot. Bonds5

About N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide

N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109426048) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide
PubChem CID109426048
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(/NCC1(c2ccccc2C)CCOCC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C26H35N3O2/c1-21-8-6-7-11-24(21)26(14-18-30-19-15-26)20-28-25(27-2)29-16-12-23(13-17-29)31-22-9-4-3-5-10-22/h3-11,23H,12-20H2,1-2H3,(H,27,28)
InChIKeyVJKDQENWEVSXQF-UHFFFAOYSA-N
XLogP4.16
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109427728
3-(methoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-1-carboximidamide
CID 111737711
N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425405
N'-methyl-N-(oxolan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427130
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425823
3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111747988
N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426691
N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 109425867
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427507
N'-methyl-4-phenoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109426757

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide (CID 109426048) is N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide is C/N=C(/NCC1(c2ccccc2C)CCOCC1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is VJKDQENWEVSXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-21-8-6-7-11-24(21)26(14-18-30-19-15-26)20-28-25(27-2)29-16-12-23(13-17-29)31-22-9-4-3-5-10-22/h3-11,23H,12-20H2,1-2H3,(H,27,28).
What are the key properties of N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide?
N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 421.59 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109426048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).