N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

C20H24FN3O2 — CID 108870644

IUPACN-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCc1ccc(OCNC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C20H24FN3O2/c1-15-3-8-19(16(2)13-15)26-14-22-20(25)24-11-9-23(10-12-24)18-6-4-17(21)5-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyRROAHZOPQLOCHE-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.31
Rot. Bonds4

About N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 108870644) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID108870644
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCc1ccc(OCNC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C20H24FN3O2/c1-15-3-8-19(16(2)13-15)26-14-22-20(25)24-11-9-23(10-12-24)18-6-4-17(21)5-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyRROAHZOPQLOCHE-UHFFFAOYSA-N
XLogP3.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 965458
N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide
CID 108870773
4-(4-fluorophenyl)-N-[(2,3,6-trimethylphenoxy)methyl]piperazine-1-carboxamide
CID 108880184
N-[2-(2,4-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112973642
4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide
CID 108888836
4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930
4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
CID 108894345
4-(3-chlorophenyl)-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973655
2-(2,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 17217386
2-(2,4-dimethylphenoxy)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 78777639
N-[(2-tert-butyl-4-methylphenoxy)methyl]-4-methylpiperazine-1-carboxamide
CID 108877592
N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112973614

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 108870644) is N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is Cc1ccc(OCNC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is RROAHZOPQLOCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15-3-8-19(16(2)13-15)26-14-22-20(25)24-11-9-23(10-12-24)18-6-4-17(21)5-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108870644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).