2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide

C16H22ClN3O2 — CID 47075143

IUPAC2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide
SMILESCC1CCN(C(=O)CO/N=C(/N)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O2/c1-12-6-8-20(9-7-12)16(21)11-22-19-15(18)10-13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3,(H2,18,19)
InChIKeyUEGSQKFNPWASOX-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.43
Rot. Bonds5

About 2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide

2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide (PubChem CID 47075143) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide
PubChem CID47075143
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide
SMILESCC1CCN(C(=O)CO/N=C(/N)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O2/c1-12-6-8-20(9-7-12)16(21)11-22-19-15(18)10-13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3,(H2,18,19)
InChIKeyUEGSQKFNPWASOX-UHFFFAOYSA-N
XLogP2.43
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.43
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide 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'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 126804071
3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 76871490
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide
CID 60591153
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid
CID 63869215
2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane
CID 143898395
2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 66997528
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23737677

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide?
The IUPAC name of 2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide (CID 47075143) is 2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide?
The canonical SMILES for 2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide is CC1CCN(C(=O)CO/N=C(/N)Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide?
The InChIKey is UEGSQKFNPWASOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-12-6-8-20(9-7-12)16(21)11-22-19-15(18)10-13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3,(H2,18,19).
What are the key properties of 2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide?
2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide has a molecular weight of 323.82 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide is sourced from PubChem (CID 47075143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).