N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide

C19H21F2N3O2 — CID 112976157

IUPACN-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21F2N3O2/c20-15-6-7-18(17(21)14-15)26-13-8-22-19(25)24-11-9-23(10-12-24)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,22,25)
InChIKeyXONJAGYJQTXNLS-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide

N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 112976157) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
PubChem CID112976157
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21F2N3O2/c20-15-6-7-18(17(21)14-15)26-13-8-22-19(25)24-11-9-23(10-12-24)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,22,25)
InChIKeyXONJAGYJQTXNLS-UHFFFAOYSA-N
XLogP2.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.88
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

4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide
CID 27535774
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17193919
N-[2-(2,4-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112973642
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112976841
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112977019
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112977176
4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 112972051
(3R)-N-[2-(2,4-difluorophenoxy)ethyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99626997
4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide
CID 108888836
N-[2-(3-fluorophenoxy)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38336448

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide (CID 112976157) is N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide is O=C(NCCOc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is XONJAGYJQTXNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-15-6-7-18(17(21)14-15)26-13-8-22-19(25)24-11-9-23(10-12-24)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,22,25).
What are the key properties of N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide?
N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 112976157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).