N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide

C14H19FN3O2+ — CID 8549219

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CCNC(=O)C1)NCCc1ccccc1F
InChIInChI=1S/C14H18FN3O2/c15-12-4-2-1-3-11(12)5-6-16-13(19)9-18-8-7-17-14(20)10-18/h1-4H,5-10H2,(H,16,19)(H,17,20)/p+1
InChIKeyORDGPYPGVDDJCI-UHFFFAOYSA-O
MW280.32 g/mol
LogP-1.50
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide

N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide (PubChem CID 8549219) has the molecular formula C14H19FN3O2+ and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
PubChem CID8549219
Molecular FormulaC14H19FN3O2+
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CCNC(=O)C1)NCCc1ccccc1F
InChIInChI=1S/C14H18FN3O2/c15-12-4-2-1-3-11(12)5-6-16-13(19)9-18-8-7-17-14(20)10-18/h1-4H,5-10H2,(H,16,19)(H,17,20)/p+1
InChIKeyORDGPYPGVDDJCI-UHFFFAOYSA-O
XLogP-1.50
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8690981
2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8993428
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8599706
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 28505813
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
N-[2-(2-fluorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62211196
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide (CID 8549219) is N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide is O=C(C[NH+]1CCNC(=O)C1)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The InChIKey is ORDGPYPGVDDJCI-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18FN3O2/c15-12-4-2-1-3-11(12)5-6-16-13(19)9-18-8-7-17-14(20)10-18/h1-4H,5-10H2,(H,16,19)(H,17,20)/p+1.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide has a molecular weight of 280.32 g/mol, XLogP of -1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8549219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).