4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide

C17H26ClIN4O — CID 110920535

IUPAC4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCC(=O)Nc2ccc(Cl)cc2)CC1.I
InChIInChI=1S/C17H25ClN4O.HI/c1-13-8-11-22(12-9-13)17(19)20-10-2-3-16(23)21-15-6-4-14(18)5-7-15;/h4-7,13H,2-3,8-12H2,1H3,(H2,19,20)(H,21,23);1H
InChIKeyGEERPMRCNASNAY-UHFFFAOYSA-N
MW464.78 g/mol
LogP3.72
Rot. Bonds5

About 4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide

4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide (PubChem CID 110920535) has the molecular formula C17H26ClIN4O and a molecular weight of 464.78 g/mol. Its IUPAC name is 4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide.

Molecular Properties

Compound Name4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide
PubChem CID110920535
Molecular FormulaC17H26ClIN4O
Molecular Weight464.78 g/mol
Exact Mass464.08
IUPAC Name4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCC(=O)Nc2ccc(Cl)cc2)CC1.I
InChIInChI=1S/C17H25ClN4O.HI/c1-13-8-11-22(12-9-13)17(19)20-10-2-3-16(23)21-15-6-4-14(18)5-7-15;/h4-7,13H,2-3,8-12H2,1H3,(H2,19,20)(H,21,23);1H
InChIKeyGEERPMRCNASNAY-UHFFFAOYSA-N
XLogP3.72
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.78
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

ethyl 4-[[N'-[4-(4-chloroanilino)-4-oxobutyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
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N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide
CID 119112887
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
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N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920656
4-[[amino(anilino)methylidene]amino]-N-(4-chlorophenyl)butanamide
CID 110926197
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 7684464
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide
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N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920487
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide
CID 110920492
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930365
N-[2-[[N'-[4-(4-chloroanilino)-4-oxobutyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide?
The IUPAC name of 4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide (CID 110920535) is 4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide.
What is the SMILES notation for 4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide?
The canonical SMILES for 4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide is CC1CCN(/C(N)=N/CCCC(=O)Nc2ccc(Cl)cc2)CC1.I.
What is the InChIKey of 4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide?
The InChIKey is GEERPMRCNASNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O.HI/c1-13-8-11-22(12-9-13)17(19)20-10-2-3-16(23)21-15-6-4-14(18)5-7-15;/h4-7,13H,2-3,8-12H2,1H3,(H2,19,20)(H,21,23);1H.
What are the key properties of 4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide?
4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide has a molecular weight of 464.78 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide is sourced from PubChem (CID 110920535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).