N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide

C14H18FN3O3 — CID 112970333

IUPACN-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)NCCOc2cccc(F)c2)CC1
InChIInChI=1S/C14H18FN3O3/c15-12-2-1-3-13(10-12)21-9-4-16-14(20)18-7-5-17(11-19)6-8-18/h1-3,10-11H,4-9H2,(H,16,20)
InChIKeyUQCUBUFZQONKBL-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.69
Rot. Bonds5

About N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide

N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide (PubChem CID 112970333) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
PubChem CID112970333
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)NCCOc2cccc(F)c2)CC1
InChIInChI=1S/C14H18FN3O3/c15-12-2-1-3-13(10-12)21-9-4-16-14(20)18-7-5-17(11-19)6-8-18/h1-3,10-11H,4-9H2,(H,16,20)
InChIKeyUQCUBUFZQONKBL-UHFFFAOYSA-N
XLogP0.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
N-[2-(3-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112970343
N-[2-(4-chlorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970900
N-[2-(3-fluorophenoxy)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38336448
4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide
CID 38336469
4-(2,4-dimethylphenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide
CID 38336408
4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956
4-formyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974263
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide (CID 112970333) is N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide is O=CN1CCN(C(=O)NCCOc2cccc(F)c2)CC1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide?
The InChIKey is UQCUBUFZQONKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c15-12-2-1-3-13(10-12)21-9-4-16-14(20)18-7-5-17(11-19)6-8-18/h1-3,10-11H,4-9H2,(H,16,20).
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide?
N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide is sourced from PubChem (CID 112970333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).