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

C17H27IN4O — CID 111032173

IUPAC2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(/Nc1ccccc1)N1CCCCC1.I
InChIInChI=1S/C17H26N4O.HI/c1-2-11-18-16(22)14-19-17(21-12-7-4-8-13-21)20-15-9-5-3-6-10-15;/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3,(H,18,22)(H,19,20);1H
InChIKeyIVUXOGLAUFEXFF-UHFFFAOYSA-N
MW430.33 g/mol
LogP3.08
Rot. Bonds5

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

2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide (PubChem CID 111032173) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide
PubChem CID111032173
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC Name2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(/Nc1ccccc1)N1CCCCC1.I
InChIInChI=1S/C17H26N4O.HI/c1-2-11-18-16(22)14-19-17(21-12-7-4-8-13-21)20-15-9-5-3-6-10-15;/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3,(H,18,22)(H,19,20);1H
InChIKeyIVUXOGLAUFEXFF-UHFFFAOYSA-N
XLogP3.08
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 53.08
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-ethylacetamide;hydroiodide
CID 111032085
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034583
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035918
2-[[(4-benzylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 110960292
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213
N-[3-[[anilino(piperidin-1-yl)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094094
3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072594
2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
CID 110962985
N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide
CID 111061692
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119119073
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972

Frequently Asked Questions

What is the IUPAC name of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide?
The IUPAC name of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide (CID 111032173) is 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide.
What is the SMILES notation for 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide?
The canonical SMILES for 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide is CCCNC(=O)C/N=C(/Nc1ccccc1)N1CCCCC1.I.
What is the InChIKey of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide?
The InChIKey is IVUXOGLAUFEXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-2-11-18-16(22)14-19-17(21-12-7-4-8-13-21)20-15-9-5-3-6-10-15;/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3,(H,18,22)(H,19,20);1H.
What are the key properties of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide?
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 3.08, 5 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-propylacetamide;hydroiodide is sourced from PubChem (CID 111032173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).