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

C19H32N6O — CID 109434809

IUPACN-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCC(C)C1)N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C19H32N6O/c1-4-20-19(21-11-16-7-5-6-15(2)10-16)24-8-9-25(18(26)14-24)17-12-22-23(3)13-17/h12-13,15-16H,4-11,14H2,1-3H3,(H,20,21)
InChIKeyQCLIMAQUXDXHCW-UHFFFAOYSA-N
MW360.51 g/mol
LogP1.86
Rot. Bonds4

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

N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide (PubChem CID 109434809) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
PubChem CID109434809
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC NameN-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCC(C)C1)N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C19H32N6O/c1-4-20-19(21-11-16-7-5-6-15(2)10-16)24-8-9-25(18(26)14-24)17-12-22-23(3)13-17/h12-13,15-16H,4-11,14H2,1-3H3,(H,20,21)
InChIKeyQCLIMAQUXDXHCW-UHFFFAOYSA-N
XLogP1.86
TPSA65.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 51.86
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-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109434808
N-ethyl-4-(1-methylpyrazol-4-yl)-N'-[(1-methylpyrrolidin-3-yl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109435248
N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109434798
N-ethyl-4-(1-methylpyrazol-4-yl)-N'-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109434028
N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxo-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 109435774
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'-[3-(4-methylpiperidin-1-yl)propyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109436171
tert-butyl 4-[[[ethylamino-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]methylidene]amino]methyl]piperidine-1-carboxylate
CID 109436659
2-cyclohexyl-N-[2-[[ethylamino-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]methylidene]amino]ethyl]acetamide
CID 109434753
N-ethyl-N'-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435113
N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109434704
N-ethyl-N'-[4-(4-methylpiperidin-1-yl)butyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109436674

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide (CID 109434809) is N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide is CCN/C(=N\CC1CCCC(C)C1)N1CCN(c2cnn(C)c2)C(=O)C1.
What is the InChIKey of N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide?
The InChIKey is QCLIMAQUXDXHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-4-20-19(21-11-16-7-5-6-15(2)10-16)24-8-9-25(18(26)14-24)17-12-22-23(3)13-17/h12-13,15-16H,4-11,14H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide?
N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide has a molecular weight of 360.51 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 109434809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).