N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

C20H35N5O2 — CID 109448801

IUPACN'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)Cn1cccn1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C20H35N5O2/c1-17(15-25-10-5-9-23-25)14-22-20(21-2)24-11-7-18(8-12-24)27-16-19-6-3-4-13-26-19/h5,9-10,17-19H,3-4,6-8,11-16H2,1-2H3,(H,21,22)
InChIKeyTVPOLPAAXHWTRV-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.14
Rot. Bonds7

About N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 109448801) has the molecular formula C20H35N5O2 and a molecular weight of 377.53 g/mol. Its IUPAC name is N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID109448801
Molecular FormulaC20H35N5O2
Molecular Weight377.53 g/mol
Exact Mass377.28
IUPAC NameN'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)Cn1cccn1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C20H35N5O2/c1-17(15-25-10-5-9-23-25)14-22-20(21-2)24-11-7-18(8-12-24)27-16-19-6-3-4-13-26-19/h5,9-10,17-19H,3-4,6-8,11-16H2,1-2H3,(H,21,22)
InChIKeyTVPOLPAAXHWTRV-UHFFFAOYSA-N
XLogP2.14
TPSA63.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,2-difluoroethyl)-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448276
N'-methyl-N-(3-methyl-2-pyridin-3-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449617
N-[2-(dimethylamino)-3-ethylpentyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449245
N'-methyl-4-(oxan-2-ylmethoxy)-N-(2-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 109447736
N'-methyl-4-(oxan-2-ylmethoxy)-N-(2-thiophen-2-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 109447746
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447389
N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447175
N-ethyl-4-(oxan-2-ylmethoxy)-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109447026
N'-methyl-4-(oxan-2-ylmethoxy)-N-prop-2-ynylpiperidine-1-carboximidamide
CID 109447385
methyl 1-[N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254894
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447431
N'-methyl-4-(oxan-2-ylmethoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 109448348

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (CID 109448801) is N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is C/N=C(\NCC(C)Cn1cccn1)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is TVPOLPAAXHWTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O2/c1-17(15-25-10-5-9-23-25)14-22-20(21-2)24-11-7-18(8-12-24)27-16-19-6-3-4-13-26-19/h5,9-10,17-19H,3-4,6-8,11-16H2,1-2H3,(H,21,22).
What are the key properties of N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 377.53 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 109448801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).