2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide

C18H25F2N3O3 — CID 86929499

IUPAC2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H25F2N3O3/c1-26-11-6-21-17(24)13-22-7-9-23(10-8-22)18(25)5-3-14-2-4-15(19)16(20)12-14/h2,4,12H,3,5-11,13H2,1H3,(H,21,24)
InChIKeyLTWKNTWKBHIWHZ-UHFFFAOYSA-N
MW369.41 g/mol
LogP0.80
Rot. Bonds8

About 2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 86929499) has the molecular formula C18H25F2N3O3 and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID86929499
Molecular FormulaC18H25F2N3O3
Molecular Weight369.41 g/mol
Exact Mass369.19
IUPAC Name2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H25F2N3O3/c1-26-11-6-21-17(24)13-22-7-9-23(10-8-22)18(25)5-3-14-2-4-15(19)16(20)12-14/h2,4,12H,3,5-11,13H2,1H3,(H,21,24)
InChIKeyLTWKNTWKBHIWHZ-UHFFFAOYSA-N
XLogP0.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 134043909
2,4-difluoro-N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 55428497
2-[4-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 78817426
2-[4-[N'-[2-(3,4-difluorophenyl)propyl]-N-ethylcarbamimidoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111501656
2-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51239949
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46056186
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676471
2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 46686812
3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 55496468
N-(2-bromo-4-fluorophenyl)-4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 78894352
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 86929499) is 2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(C(=O)CCc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is LTWKNTWKBHIWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O3/c1-26-11-6-21-17(24)13-22-7-9-23(10-8-22)18(25)5-3-14-2-4-15(19)16(20)12-14/h2,4,12H,3,5-11,13H2,1H3,(H,21,24).
What are the key properties of 2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 369.41 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,4-difluorophenyl)propanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 86929499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).