N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide

C17H31N5 — CID 109490782

IUPACN-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CCn2cccn2)NCC)C1
InChIInChI=1S/C17H31N5/c1-4-8-17(3)9-6-12-21(15-17)16(18-5-2)19-11-14-22-13-7-10-20-22/h7,10,13H,4-6,8-9,11-12,14-15H2,1-3H3,(H,18,19)
InChIKeyACARTGZVGFJVID-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.75
Rot. Bonds6

About N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide

N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide (PubChem CID 109490782) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
PubChem CID109490782
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC NameN-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CCn2cccn2)NCC)C1
InChIInChI=1S/C17H31N5/c1-4-8-17(3)9-6-12-21(15-17)16(18-5-2)19-11-14-22-13-7-10-20-22/h7,10,13H,4-6,8-9,11-12,14-15H2,1-3H3,(H,18,19)
InChIKeyACARTGZVGFJVID-UHFFFAOYSA-N
XLogP2.75
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.75
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'}

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Related Compounds

N-ethyl-3-methyl-N'-[2-(4-nitropyrazol-1-yl)ethyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490599
N-ethyl-3-methyl-N'-[4-(2-oxo-1-pyridinyl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490099
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-ethyl-3-methyl-3-propyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboximidamide
CID 109490790
N-ethyl-3-methyl-3-propyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 109490789
N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide
CID 109490860
N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490488
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490904
2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 109490735
N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490117
N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490325
N'-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490338

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide (CID 109490782) is N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/CCn2cccn2)NCC)C1.
What is the InChIKey of N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide?
The InChIKey is ACARTGZVGFJVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-4-8-17(3)9-6-12-21(15-17)16(18-5-2)19-11-14-22-13-7-10-20-22/h7,10,13H,4-6,8-9,11-12,14-15H2,1-3H3,(H,18,19).
What are the key properties of N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide?
N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide has a molecular weight of 305.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 109490782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).