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

C19H34IN7O — CID 109434798

IUPACN-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCCN(CC)C1)N1CCN(c2cnn(C)c2)C(=O)C1.I
InChIInChI=1S/C19H33N7O.HI/c1-4-20-19(21-11-16-7-6-8-24(5-2)13-16)25-9-10-26(18(27)15-25)17-12-22-23(3)14-17;/h12,14,16H,4-11,13,15H2,1-3H3,(H,20,21);1H
InChIKeyMOBBGGFAXRPJFC-UHFFFAOYSA-N
MW503.43 g/mol
LogP1.38
Rot. Bonds5

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

N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide (PubChem CID 109434798) has the molecular formula C19H34IN7O and a molecular weight of 503.43 g/mol. Its IUPAC name is N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
PubChem CID109434798
Molecular FormulaC19H34IN7O
Molecular Weight503.43 g/mol
Exact Mass503.19
IUPAC NameN-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCCN(CC)C1)N1CCN(c2cnn(C)c2)C(=O)C1.I
InChIInChI=1S/C19H33N7O.HI/c1-4-20-19(21-11-16-7-6-8-24(5-2)13-16)25-9-10-26(18(27)15-25)17-12-22-23(3)14-17;/h12,14,16H,4-11,13,15H2,1-3H3,(H,20,21);1H
InChIKeyMOBBGGFAXRPJFC-UHFFFAOYSA-N
XLogP1.38
TPSA69.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.43
LogP ≤ 51.38
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(1-methylpyrazol-4-yl)-N'-[(1-methylpyrrolidin-3-yl)methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109435248
N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109434808
N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109434809
N-ethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109436526
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)pyrrolidin-2-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109435732
N-ethyl-N'-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435113
N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxo-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 109435297
N'-(2,2-dicyclopropylethyl)-N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109436578
N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxo-N'-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 109435206
tert-butyl 4-[[[ethylamino-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]methylidene]amino]methyl]piperidine-1-carboxylate
CID 109436659

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide (CID 109434798) is N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CCCN(CC)C1)N1CCN(c2cnn(C)c2)C(=O)C1.I.
What is the InChIKey of N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide?
The InChIKey is MOBBGGFAXRPJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7O.HI/c1-4-20-19(21-11-16-7-6-8-24(5-2)13-16)25-9-10-26(18(27)15-25)17-12-22-23(3)14-17;/h12,14,16H,4-11,13,15H2,1-3H3,(H,20,21);1H.
What are the key properties of N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide has a molecular weight of 503.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109434798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).