N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide

C19H30N4O2 — CID 75494928

IUPACN'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESC/N=C(\NCc1ncccc1C)N1CCC(OCC2CCCO2)CC1
InChIInChI=1S/C19H30N4O2/c1-15-5-3-9-21-18(15)13-22-19(20-2)23-10-7-16(8-11-23)25-14-17-6-4-12-24-17/h3,5,9,16-17H,4,6-8,10-14H2,1-2H3,(H,20,22)
InChIKeyCGOMGMYLAUCDJZ-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.13
Rot. Bonds5

About N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide

N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 75494928) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID75494928
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESC/N=C(\NCc1ncccc1C)N1CCC(OCC2CCCO2)CC1
InChIInChI=1S/C19H30N4O2/c1-15-5-3-9-21-18(15)13-22-19(20-2)23-10-7-16(8-11-23)25-14-17-6-4-12-24-17/h3,5,9,16-17H,4,6-8,10-14H2,1-2H3,(H,20,22)
InChIKeyCGOMGMYLAUCDJZ-UHFFFAOYSA-N
XLogP2.13
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.13
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'}

Analyze N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-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-N-[2-(2-methylphenoxy)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447795
N'-methyl-N-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450151
N-[3-(2,6-dimethylphenoxy)propyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447451
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449700
N'-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448236
N-[(2-chlorophenyl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448859
N-(furan-2-ylmethyl)-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447400
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448427
N'-methyl-N-(naphthalen-1-ylmethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448727
N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide
CID 109448301
N-[(5-bromothiophen-2-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448829
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111788852

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide (CID 75494928) is N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide is C/N=C(\NCc1ncccc1C)N1CCC(OCC2CCCO2)CC1.
What is the InChIKey of N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is CGOMGMYLAUCDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-5-3-9-21-18(15)13-22-19(20-2)23-10-7-16(8-11-23)25-14-17-6-4-12-24-17/h3,5,9,16-17H,4,6-8,10-14H2,1-2H3,(H,20,22).
What are the key properties of N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide?
N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 346.48 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 75494928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).