4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide

C15H22FN3O3 — CID 108894345

IUPAC4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
SMILESCOCCOCNC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O3/c1-21-10-11-22-12-17-15(20)19-8-6-18(7-9-19)14-4-2-13(16)3-5-14/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyLEKLGDGBFIFLJI-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.28
Rot. Bonds6

About 4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide

4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide (PubChem CID 108894345) has the molecular formula C15H22FN3O3 and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
PubChem CID108894345
Molecular FormulaC15H22FN3O3
Molecular Weight311.36 g/mol
Exact Mass311.16
IUPAC Name4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
SMILESCOCCOCNC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O3/c1-21-10-11-22-12-17-15(20)19-8-6-18(7-9-19)14-4-2-13(16)3-5-14/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyLEKLGDGBFIFLJI-UHFFFAOYSA-N
XLogP1.28
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108894510
4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide
CID 108888836
4-(4-fluorophenyl)-N-[(2,3,6-trimethylphenoxy)methyl]piperazine-1-carboxamide
CID 108880184
4-(4-fluorophenyl)-N-[4-(2-methoxyethylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 56763318
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108870644
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
CID 18144093
N-(2-methoxyethyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105117
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405099

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide (CID 108894345) is 4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide is COCCOCNC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide?
The InChIKey is LEKLGDGBFIFLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3/c1-21-10-11-22-12-17-15(20)19-8-6-18(7-9-19)14-4-2-13(16)3-5-14/h2-5H,6-12H2,1H3,(H,17,20).
What are the key properties of 4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108894345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).