4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C20H30IN5O — CID 111958140

IUPAC4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1cnn(-c2ccccc2)c1)N1CCC(OCC)CC1.I
InChIInChI=1S/C20H29N5O.HI/c1-3-21-20(24-12-10-19(11-13-24)26-4-2)22-14-17-15-23-25(16-17)18-8-6-5-7-9-18;/h5-9,15-16,19H,3-4,10-14H2,1-2H3,(H,21,22);1H
InChIKeyWVTBFWWRDDPVAW-UHFFFAOYSA-N
MW483.40 g/mol
LogP3.46
Rot. Bonds6

About 4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111958140) has the molecular formula C20H30IN5O and a molecular weight of 483.40 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111958140
Molecular FormulaC20H30IN5O
Molecular Weight483.40 g/mol
Exact Mass483.15
IUPAC Name4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1cnn(-c2ccccc2)c1)N1CCC(OCC)CC1.I
InChIInChI=1S/C20H29N5O.HI/c1-3-21-20(24-12-10-19(11-13-24)26-4-2)22-14-17-15-23-25(16-17)18-8-6-5-7-9-18;/h5-9,15-16,19H,3-4,10-14H2,1-2H3,(H,21,22);1H
InChIKeyWVTBFWWRDDPVAW-UHFFFAOYSA-N
XLogP3.46
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 53.46
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956653
4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111959758
N-ethyl-3-morpholin-4-yl-N'-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111728350
N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427545
N-ethyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956679
N'-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959786
ethyl 1-[N-ethyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111157342
N'-[(3-bromophenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959518
4-ethoxy-N'-[(3-ethoxyphenyl)methyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958734
1,3-diethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 75406975
N-ethyl-3-phenyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111723550
4-ethoxy-N-ethyl-N'-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111960810

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111958140) is 4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1cnn(-c2ccccc2)c1)N1CCC(OCC)CC1.I.
What is the InChIKey of 4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is WVTBFWWRDDPVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O.HI/c1-3-21-20(24-12-10-19(11-13-24)26-4-2)22-14-17-15-23-25(16-17)18-8-6-5-7-9-18;/h5-9,15-16,19H,3-4,10-14H2,1-2H3,(H,21,22);1H.
What are the key properties of 4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 483.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111958140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).