2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide

C16H25IN4O — CID 111032085

IUPAC2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
SMILESCCNC(=O)C/N=C(/Nc1ccccc1)N1CCCCC1.I
InChIInChI=1S/C16H24N4O.HI/c1-2-17-15(21)13-18-16(20-11-7-4-8-12-20)19-14-9-5-3-6-10-14;/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,17,21)(H,18,19);1H
InChIKeyNCPTXXOBIMJHOE-UHFFFAOYSA-N
MW416.31 g/mol
LogP2.69
Rot. Bonds4

About 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide

2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide (PubChem CID 111032085) has the molecular formula C16H25IN4O and a molecular weight of 416.31 g/mol. Its IUPAC name is 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
PubChem CID111032085
Molecular FormulaC16H25IN4O
Molecular Weight416.31 g/mol
Exact Mass416.11
IUPAC Name2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
SMILESCCNC(=O)C/N=C(/Nc1ccccc1)N1CCCCC1.I
InChIInChI=1S/C16H24N4O.HI/c1-2-17-15(21)13-18-16(20-11-7-4-8-12-20)19-14-9-5-3-6-10-14;/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,17,21)(H,18,19);1H
InChIKeyNCPTXXOBIMJHOE-UHFFFAOYSA-N
XLogP2.69
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032173
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034583
2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
CID 110962985
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035918
3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
CID 111071160
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079
2-[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]-N-phenylacetamide
CID 111184702
ethyl 1-[N'-(2-anilino-2-oxoethyl)-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155523
N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961774
3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072594
2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 111048138
4-benzyl-N-ethyl-N'-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110959650

Frequently Asked Questions

What is the IUPAC name of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide?
The IUPAC name of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide (CID 111032085) is 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide?
The canonical SMILES for 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide is CCNC(=O)C/N=C(/Nc1ccccc1)N1CCCCC1.I.
What is the InChIKey of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide?
The InChIKey is NCPTXXOBIMJHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.HI/c1-2-17-15(21)13-18-16(20-11-7-4-8-12-20)19-14-9-5-3-6-10-14;/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,17,21)(H,18,19);1H.
What are the key properties of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide?
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide has a molecular weight of 416.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide is sourced from PubChem (CID 111032085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).