N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

C23H38N4O2 — CID 109449617

IUPACN'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESC/N=C(\NCC(c1cccnc1)C(C)C)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C23H38N4O2/c1-18(2)22(19-7-6-11-25-15-19)16-26-23(24-3)27-12-9-20(10-13-27)29-17-21-8-4-5-14-28-21/h6-7,11,15,18,20-22H,4-5,8-10,12-14,16-17H2,1-3H3,(H,24,26)
InChIKeyYJWVBZHOOQVHFZ-UHFFFAOYSA-N
MW402.58 g/mol
LogP3.45
Rot. Bonds7

About N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 109449617) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID109449617
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC NameN'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESC/N=C(\NCC(c1cccnc1)C(C)C)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C23H38N4O2/c1-18(2)22(19-7-6-11-25-15-19)16-26-23(24-3)27-12-9-20(10-13-27)29-17-21-8-4-5-14-28-21/h6-7,11,15,18,20-22H,4-5,8-10,12-14,16-17H2,1-3H3,(H,24,26)
InChIKeyYJWVBZHOOQVHFZ-UHFFFAOYSA-N
XLogP3.45
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.45
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

N'-methyl-4-(oxan-2-ylmethoxy)-N-(2-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 109447736
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447431
N-(2,2-difluoroethyl)-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448276
N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448801
N'-methyl-4-(oxan-2-ylmethoxy)-N-(2-thiophen-2-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 109447746
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109446903
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447379
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448362
N'-methyl-4-(oxan-2-ylmethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109449296
N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
CID 75494928
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447389
N'-methyl-N-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450151

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (CID 109449617) is N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is C/N=C(\NCC(c1cccnc1)C(C)C)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is YJWVBZHOOQVHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2/c1-18(2)22(19-7-6-11-25-15-19)16-26-23(24-3)27-12-9-20(10-13-27)29-17-21-8-4-5-14-28-21/h6-7,11,15,18,20-22H,4-5,8-10,12-14,16-17H2,1-3H3,(H,24,26).
What are the key properties of N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 402.58 g/mol, XLogP of 3.45, 7 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-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 109449617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).