ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate

C18H26FN3O3 — CID 109000410

IUPACethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNCCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O3/c1-2-25-18(24)22-11-8-16(9-12-22)21-17(23)13-20-10-7-14-3-5-15(19)6-4-14/h3-6,16,20H,2,7-13H2,1H3,(H,21,23)
InChIKeyMIMBZQVBOVSIDV-UHFFFAOYSA-N
MW351.42 g/mol
LogP1.69
Rot. Bonds7

About ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate (PubChem CID 109000410) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
PubChem CID109000410
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Nameethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNCCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O3/c1-2-25-18(24)22-11-8-16(9-12-22)21-17(23)13-20-10-7-14-3-5-15(19)6-4-14/h3-6,16,20H,2,7-13H2,1H3,(H,21,23)
InChIKeyMIMBZQVBOVSIDV-UHFFFAOYSA-N
XLogP1.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003707
ethyl 4-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328677
ethyl 4-[[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111025544
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194
ethyl 4-[[1-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108975803
ethyl 4-[[N-ethyl-N'-[(4-fluorophenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111330082
ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 24520834
ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 42403773
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate
CID 113126879

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate (CID 109000410) is ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CNCCc2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is MIMBZQVBOVSIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-2-25-18(24)22-11-8-16(9-12-22)21-17(23)13-20-10-7-14-3-5-15(19)6-4-14/h3-6,16,20H,2,7-13H2,1H3,(H,21,23).
What are the key properties of ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 351.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109000410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).