N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

C21H26FN3O2 — CID 112972051

IUPACN-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCc1ccc(OCCNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H26FN3O2/c1-2-17-3-9-20(10-4-17)27-16-11-23-21(26)25-14-12-24(13-15-25)19-7-5-18(22)6-8-19/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyCOEQKWRIZITDQX-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 112972051) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID112972051
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCc1ccc(OCCNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H26FN3O2/c1-2-17-3-9-20(10-4-17)27-16-11-23-21(26)25-14-12-24(13-15-25)19-7-5-18(22)6-8-19/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyCOEQKWRIZITDQX-UHFFFAOYSA-N
XLogP3.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514
4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930
ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112972060
2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 39052897
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide
CID 108888836
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112976157
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
CID 108894345
4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 48515379

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 112972051) is N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is CCc1ccc(OCCNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is COEQKWRIZITDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-2-17-3-9-20(10-4-17)27-16-11-23-21(26)25-14-12-24(13-15-25)19-7-5-18(22)6-8-19/h3-10H,2,11-16H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 112972051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).