3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

C17H27IN4O — CID 111072594

IUPAC3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCC(C)(C/N=C(/Nc1ccccc1)N1CCCCC1)C(N)=O.I
InChIInChI=1S/C17H26N4O.HI/c1-17(2,15(18)22)13-19-16(21-11-7-4-8-12-21)20-14-9-5-3-6-10-14;/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H2,18,22)(H,19,20);1H
InChIKeyXPAMAFUIVGVCNU-UHFFFAOYSA-N
MW430.33 g/mol
LogP3.07
Rot. Bonds4

About 3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 111072594) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is 3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
PubChem CID111072594
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC Name3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCC(C)(C/N=C(/Nc1ccccc1)N1CCCCC1)C(N)=O.I
InChIInChI=1S/C17H26N4O.HI/c1-17(2,15(18)22)13-19-16(21-11-7-4-8-12-21)20-14-9-5-3-6-10-14;/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H2,18,22)(H,19,20);1H
InChIKeyXPAMAFUIVGVCNU-UHFFFAOYSA-N
XLogP3.07
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 53.07
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

N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034583
N'-[2-(dimethylamino)-2-methylpropyl]-N-phenylpiperidine-1-carboximidamide
CID 111028734
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032085
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032173
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
3-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111152458
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119119073
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
propan-2-yl 3-[[anilino(piperidin-1-yl)methylidene]amino]propanoate
CID 111037118

Frequently Asked Questions

What is the IUPAC name of 3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (CID 111072594) is 3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is CC(C)(C/N=C(/Nc1ccccc1)N1CCCCC1)C(N)=O.I.
What is the InChIKey of 3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is XPAMAFUIVGVCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-17(2,15(18)22)13-19-16(21-11-7-4-8-12-21)20-14-9-5-3-6-10-14;/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H2,18,22)(H,19,20);1H.
What are the key properties of 3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 111072594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).