N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide

C19H32N6O2 — CID 109435119

IUPACN-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
SMILESCCN/C(=N\CC1(CCOC)CCC1)N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C19H32N6O2/c1-4-20-18(21-15-19(6-5-7-19)8-11-27-3)24-9-10-25(17(26)14-24)16-12-22-23(2)13-16/h12-13H,4-11,14-15H2,1-3H3,(H,20,21)
InChIKeyKRJFFPVTIAGWOF-UHFFFAOYSA-N
MW376.51 g/mol
LogP1.24
Rot. Bonds7

About N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide

N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide (PubChem CID 109435119) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
PubChem CID109435119
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC NameN-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
SMILESCCN/C(=N\CC1(CCOC)CCC1)N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C19H32N6O2/c1-4-20-18(21-15-19(6-5-7-19)8-11-27-3)24-9-10-25(17(26)14-24)16-12-22-23(2)13-16/h12-13H,4-11,14-15H2,1-3H3,(H,20,21)
InChIKeyKRJFFPVTIAGWOF-UHFFFAOYSA-N
XLogP1.24
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 51.24
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-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433491
N-ethyl-N'-[4-(2-methoxyethoxy)butyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109436635
N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435817
N-ethyl-N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109435732
N-ethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109436526
N-ethyl-N'-hexyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435271
N'-(2,2-difluoroethyl)-N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109434098
N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxo-N'-prop-2-enylpiperazine-1-carboximidamide;hydroiodide
CID 109433664
N-ethyl-N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109436109
N-ethyl-4-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109434746
N'-(3,3-dimethylbutyl)-N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435185
N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxo-N'-prop-2-ynylpiperazine-1-carboximidamide;hydroiodide
CID 109435238

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide (CID 109435119) is N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide is CCN/C(=N\CC1(CCOC)CCC1)N1CCN(c2cnn(C)c2)C(=O)C1.
What is the InChIKey of N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide?
The InChIKey is KRJFFPVTIAGWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-4-20-18(21-15-19(6-5-7-19)8-11-27-3)24-9-10-25(17(26)14-24)16-12-22-23(2)13-16/h12-13H,4-11,14-15H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide?
N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide has a molecular weight of 376.51 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 109435119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).