4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide

C18H20FN3O2 — CID 108888836

IUPAC4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide
SMILESO=C(NCOc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O2/c19-15-6-8-16(9-7-15)21-10-12-22(13-11-21)18(23)20-14-24-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23)
InChIKeyFPSSLKCHOWXBES-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.69
Rot. Bonds4

About 4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide

4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide (PubChem CID 108888836) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide
PubChem CID108888836
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide
SMILESO=C(NCOc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O2/c19-15-6-8-16(9-7-15)21-10-12-22(13-11-21)18(23)20-14-24-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23)
InChIKeyFPSSLKCHOWXBES-UHFFFAOYSA-N
XLogP2.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-N-[(2,3,6-trimethylphenoxy)methyl]piperazine-1-carboxamide
CID 108880184
4-acetyl-N-(phenoxymethyl)piperazine-1-carboxamide
CID 108888799
4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
CID 108894345
N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108870644
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
CID 46797418
N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 112972051
N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 7774557
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(phenoxymethyl)urea
CID 108888941
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112976157

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide (CID 108888836) is 4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide is O=C(NCOc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide?
The InChIKey is FPSSLKCHOWXBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-6-8-16(9-7-15)21-10-12-22(13-11-21)18(23)20-14-24-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23).
What are the key properties of 4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108888836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).