N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide

C19H30FIN4O — CID 111144923

IUPACN-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)Cc1ccc(F)cc1)N1CCCC(C)C1.I
InChIInChI=1S/C19H29FN4O.HI/c1-3-21-19(24-12-4-5-15(2)14-24)23-11-10-22-18(25)13-16-6-8-17(20)9-7-16;/h6-9,15H,3-5,10-14H2,1-2H3,(H,21,23)(H,22,25);1H
InChIKeyNBIKNLUSKDVYKU-UHFFFAOYSA-N
MW476.38 g/mol
LogP2.80
Rot. Bonds6

About N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide

N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide (PubChem CID 111144923) has the molecular formula C19H30FIN4O and a molecular weight of 476.38 g/mol. Its IUPAC name is N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
PubChem CID111144923
Molecular FormulaC19H30FIN4O
Molecular Weight476.38 g/mol
Exact Mass476.14
IUPAC NameN-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)Cc1ccc(F)cc1)N1CCCC(C)C1.I
InChIInChI=1S/C19H29FN4O.HI/c1-3-21-19(24-12-4-5-15(2)14-24)23-11-10-22-18(25)13-16-6-8-17(20)9-7-16;/h6-9,15H,3-5,10-14H2,1-2H3,(H,21,23)(H,22,25);1H
InChIKeyNBIKNLUSKDVYKU-UHFFFAOYSA-N
XLogP2.80
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.38
LogP ≤ 52.80
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

N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111212075
2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]acetamide
CID 111145258
N-ethyl-N'-[(4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144647
N-[2-[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111185314
N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111212076
N-[4-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111146075
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
methyl 4-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]benzoate;hydroiodide
CID 111143831
4-[[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111144783
N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145705
N-ethyl-N'-[2-(methanesulfonamido)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144709
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide?
The IUPAC name of N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide (CID 111144923) is N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide.
What is the SMILES notation for N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide?
The canonical SMILES for N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide is CCN/C(=N\CCNC(=O)Cc1ccc(F)cc1)N1CCCC(C)C1.I.
What is the InChIKey of N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide?
The InChIKey is NBIKNLUSKDVYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O.HI/c1-3-21-19(24-12-4-5-15(2)14-24)23-11-10-22-18(25)13-16-6-8-17(20)9-7-16;/h6-9,15H,3-5,10-14H2,1-2H3,(H,21,23)(H,22,25);1H.
What are the key properties of N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide?
N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide has a molecular weight of 476.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 111144923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).