2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C13H15F3N3O2+ — CID 4067396

IUPAC2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1[NH2+]CCNC1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)8-3-1-2-4-9(8)19-11(20)7-10-12(21)18-6-5-17-10/h1-4,10,17H,5-7H2,(H,18,21)(H,19,20)/p+1
InChIKeyPUWNNWLQSPWQAP-UHFFFAOYSA-O
MW302.28 g/mol
LogP0.10
Rot. Bonds3

About 2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 4067396) has the molecular formula C13H15F3N3O2+ and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID4067396
Molecular FormulaC13H15F3N3O2+
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Name2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1[NH2+]CCNC1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)8-3-1-2-4-9(8)19-11(20)7-10-12(21)18-6-5-17-10/h1-4,10,17H,5-7H2,(H,18,21)(H,19,20)/p+1
InChIKeyPUWNNWLQSPWQAP-UHFFFAOYSA-O
XLogP0.10
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide
CID 6956092
2-[(2S,4aR,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 124723682
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2852355
N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide
CID 7273609
3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62209957
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 138376647
2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2576082
2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2242125
dimethyl 5-[[2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 6956121
ethyl (3R,6S)-5-oxo-6-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]thiomorpholine-3-carboxylate
CID 41475418
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110860768

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 4067396) is 2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CC1[NH2+]CCNC1=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PUWNNWLQSPWQAP-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H14F3N3O2/c14-13(15,16)8-3-1-2-4-9(8)19-11(20)7-10-12(21)18-6-5-17-10/h1-4,10,17H,5-7H2,(H,18,21)(H,19,20)/p+1.
What are the key properties of 2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 302.28 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-1-ium-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4067396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).