N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide

C12H14FN3O2 — CID 2988203

IUPACN-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESO=C(CC1NCCNC1=O)Nc1ccccc1F
InChIInChI=1S/C12H14FN3O2/c13-8-3-1-2-4-9(8)16-11(17)7-10-12(18)15-6-5-14-10/h1-4,10,14H,5-7H2,(H,15,18)(H,16,17)
InChIKeyLCPRDDUHXFAFGR-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.24
Rot. Bonds3

About N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide

N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide (PubChem CID 2988203) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide
PubChem CID2988203
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC NameN-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESO=C(CC1NCCNC1=O)Nc1ccccc1F
InChIInChI=1S/C12H14FN3O2/c13-8-3-1-2-4-9(8)16-11(17)7-10-12(18)15-6-5-14-10/h1-4,10,14H,5-7H2,(H,15,18)(H,16,17)
InChIKeyLCPRDDUHXFAFGR-UHFFFAOYSA-N
XLogP0.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide (CID 2988203) is N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide is O=C(CC1NCCNC1=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The InChIKey is LCPRDDUHXFAFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-8-3-1-2-4-9(8)16-11(17)7-10-12(18)15-6-5-14-10/h1-4,10,14H,5-7H2,(H,15,18)(H,16,17).
What are the key properties of N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide?
N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide has a molecular weight of 251.26 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 2988203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).