N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide

C12H15FN3O2+ — CID 6956092

IUPACN-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide
SMILESO=C(C[C@@H]1[NH2+]CCNC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2/c13-8-1-3-9(4-2-8)16-11(17)7-10-12(18)15-6-5-14-10/h1-4,10,14H,5-7H2,(H,15,18)(H,16,17)/p+1/t10-/m0/s1
InChIKeyFUGCPGSWUPZYDI-JTQLQIEISA-O
MW252.27 g/mol
LogP-0.78
Rot. Bonds3

About N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide

N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide (PubChem CID 6956092) has the molecular formula C12H15FN3O2+ and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide
PubChem CID6956092
Molecular FormulaC12H15FN3O2+
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide
SMILESO=C(C[C@@H]1[NH2+]CCNC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2/c13-8-1-3-9(4-2-8)16-11(17)7-10-12(18)15-6-5-14-10/h1-4,10,14H,5-7H2,(H,15,18)(H,16,17)/p+1/t10-/m0/s1
InChIKeyFUGCPGSWUPZYDI-JTQLQIEISA-O
XLogP-0.78
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide
CID 7325308
N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide
CID 7273609
methyl 4-[[2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]benzoate
CID 6923407
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide
CID 6586939
dimethyl 5-[[2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 6956121
2-[(2S,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-1-ium-2-yl]-N-(4-fluorophenyl)acetamide
CID 11860816
(2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 6975937
N-(4-acetamidophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 7273614
2-[(2R,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(4-fluorophenyl)acetamide
CID 6546718
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
N-(4-fluorophenyl)-2-[(2R)-1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29044636
N-(4-fluorophenyl)-2-[1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 17039233

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide (CID 6956092) is N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide is O=C(C[C@@H]1[NH2+]CCNC1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide?
The InChIKey is FUGCPGSWUPZYDI-JTQLQIEISA-O. The full InChI is InChI=1S/C12H14FN3O2/c13-8-1-3-9(4-2-8)16-11(17)7-10-12(18)15-6-5-14-10/h1-4,10,14H,5-7H2,(H,15,18)(H,16,17)/p+1/t10-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide?
N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide has a molecular weight of 252.27 g/mol, XLogP of -0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide is sourced from PubChem (CID 6956092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).