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

C19H30FIN4O — CID 111212076

IUPACN-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)Cc1cccc(F)c1)N1CCC(C)CC1.I
InChIInChI=1S/C19H29FN4O.HI/c1-3-21-19(24-11-7-15(2)8-12-24)23-10-9-22-18(25)14-16-5-4-6-17(20)13-16;/h4-6,13,15H,3,7-12,14H2,1-2H3,(H,21,23)(H,22,25);1H
InChIKeyANPUHWVWXBOOMG-UHFFFAOYSA-N
MW476.38 g/mol
LogP2.80
Rot. Bonds6

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

N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide (PubChem CID 111212076) has the molecular formula C19H30FIN4O and a molecular weight of 476.38 g/mol. Its IUPAC name is N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
PubChem CID111212076
Molecular FormulaC19H30FIN4O
Molecular Weight476.38 g/mol
Exact Mass476.14
IUPAC NameN-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)Cc1cccc(F)c1)N1CCC(C)CC1.I
InChIInChI=1S/C19H29FN4O.HI/c1-3-21-19(24-11-7-15(2)8-12-24)23-10-9-22-18(25)14-16-5-4-6-17(20)13-16;/h4-6,13,15H,3,7-12,14H2,1-2H3,(H,21,23)(H,22,25);1H
InChIKeyANPUHWVWXBOOMG-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
N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111144923
N-[2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(ethylamino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111269906
2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide
CID 111211589
3-[[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]-N-propylbenzamide
CID 111212019
N-[2-[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111185314
N-[2-[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111919977
N-[3-[[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111210260
N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111125636
N-ethyl-N'-[2-(3-fluorophenyl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301731
ethyl 4-[acetyl-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]amino]piperidine-1-carboxylate
CID 113056390
N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide
CID 111211586

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide?
The IUPAC name of N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide (CID 111212076) is N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide.
What is the SMILES notation for N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide?
The canonical SMILES for N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide is CCN/C(=N\CCNC(=O)Cc1cccc(F)c1)N1CCC(C)CC1.I.
What is the InChIKey of N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide?
The InChIKey is ANPUHWVWXBOOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O.HI/c1-3-21-19(24-11-7-15(2)8-12-24)23-10-9-22-18(25)14-16-5-4-6-17(20)13-16;/h4-6,13,15H,3,7-12,14H2,1-2H3,(H,21,23)(H,22,25);1H.
What are the key properties of N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide?
N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-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-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 111212076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).