N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

C24H35N5O3 — CID 109446777

IUPACN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccn(-c2ccc(OC)cc2)n1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C24H35N5O3/c1-25-24(28-13-11-22(12-14-28)32-18-23-5-3-4-16-31-23)26-17-19-10-15-29(27-19)20-6-8-21(30-2)9-7-20/h6-10,15,22-23H,3-5,11-14,16-18H2,1-2H3,(H,25,26)
InChIKeyPWTNXYHEEZHTBM-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.01
Rot. Bonds7

About N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 109446777) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID109446777
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC NameN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccn(-c2ccc(OC)cc2)n1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C24H35N5O3/c1-25-24(28-13-11-22(12-14-28)32-18-23-5-3-4-16-31-23)26-17-19-10-15-29(27-19)20-6-8-21(30-2)9-7-20/h6-10,15,22-23H,3-5,11-14,16-18H2,1-2H3,(H,25,26)
InChIKeyPWTNXYHEEZHTBM-UHFFFAOYSA-N
XLogP3.01
TPSA73.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(1-phenylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109447408
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447895
4-methoxy-N-[2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109449368
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448362
N-[(5-bromothiophen-2-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448829
N'-methyl-N-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450151
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727028
N'-methyl-N-(naphthalen-1-ylmethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448727
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450065
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449700
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448379
N-[(2-chlorophenyl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448859

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (CID 109446777) is N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is C/N=C(\NCc1ccn(-c2ccc(OC)cc2)n1)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is PWTNXYHEEZHTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-25-24(28-13-11-22(12-14-28)32-18-23-5-3-4-16-31-23)26-17-19-10-15-29(27-19)20-6-8-21(30-2)9-7-20/h6-10,15,22-23H,3-5,11-14,16-18H2,1-2H3,(H,25,26).
What are the key properties of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 441.58 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 109446777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).