N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide

C22H27F2N3O2 — CID 112801951

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCCc2ccc(OC(F)F)cc2)C(c2ccccc2)C1
InChIInChI=1S/C22H27F2N3O2/c1-26-13-14-27(20(15-26)18-5-3-2-4-6-18)16-21(28)25-12-11-17-7-9-19(10-8-17)29-22(23)24/h2-10,20,22H,11-16H2,1H3,(H,25,28)
InChIKeyWMFDBUBPTXDPJG-UHFFFAOYSA-N
MW403.47 g/mol
LogP2.94
Rot. Bonds8

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide (PubChem CID 112801951) has the molecular formula C22H27F2N3O2 and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
PubChem CID112801951
Molecular FormulaC22H27F2N3O2
Molecular Weight403.47 g/mol
Exact Mass403.21
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCCc2ccc(OC(F)F)cc2)C(c2ccccc2)C1
InChIInChI=1S/C22H27F2N3O2/c1-26-13-14-27(20(15-26)18-5-3-2-4-6-18)16-21(28)25-12-11-17-7-9-19(10-8-17)29-22(23)24/h2-10,20,22H,11-16H2,1H3,(H,25,28)
InChIKeyWMFDBUBPTXDPJG-UHFFFAOYSA-N
XLogP2.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 96522228
2-[2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 71866137
2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 71877575
N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801947
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 46405546
1-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121569
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 30724972
(2S)-N-[4-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carbothioamide
CID 8600373
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9342048
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 120774997
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2703290

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide (CID 112801951) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NCCc2ccc(OC(F)F)cc2)C(c2ccccc2)C1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
The InChIKey is WMFDBUBPTXDPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O2/c1-26-13-14-27(20(15-26)18-5-3-2-4-6-18)16-21(28)25-12-11-17-7-9-19(10-8-17)29-22(23)24/h2-10,20,22H,11-16H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide has a molecular weight of 403.47 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 112801951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).