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

C19H29FN4O — CID 111212075

IUPACN-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCCN/C(=N\CCNC(=O)Cc1ccc(F)cc1)N1CCC(C)CC1
InChIInChI=1S/C19H29FN4O/c1-3-21-19(24-12-8-15(2)9-13-24)23-11-10-22-18(25)14-16-4-6-17(20)7-5-16/h4-7,15H,3,8-14H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyJWEFUNOAFGZNAG-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.18
Rot. Bonds6

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

N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 111212075) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID111212075
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC NameN-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCCN/C(=N\CCNC(=O)Cc1ccc(F)cc1)N1CCC(C)CC1
InChIInChI=1S/C19H29FN4O/c1-3-21-19(24-12-8-15(2)9-13-24)23-11-10-22-18(25)14-16-4-6-17(20)7-5-16/h4-7,15H,3,8-14H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyJWEFUNOAFGZNAG-UHFFFAOYSA-N
XLogP2.18
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.18
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'}

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Related Compounds

N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111144923
N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111212076
N-[2-[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111185314
2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide
CID 111211589
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 110988552
4-[[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
CID 111210543
N-[2-[[ethylamino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111165791
N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 111211889
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579
2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]acetamide
CID 111145258
N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 136925711
N-cyclopropyl-2-[4-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]phenoxy]acetamide
CID 111211707

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide (CID 111212075) is N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide is CCN/C(=N\CCNC(=O)Cc1ccc(F)cc1)N1CCC(C)CC1.
What is the InChIKey of N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is JWEFUNOAFGZNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-3-21-19(24-12-8-15(2)9-13-24)23-11-10-22-18(25)14-16-4-6-17(20)7-5-16/h4-7,15H,3,8-14H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.18, 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 111212075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).