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

C13H16FN3O2 — CID 2546535

IUPACN-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)NCc2ccc(F)cc2)CCN1
InChIInChI=1S/C13H16FN3O2/c14-11-3-1-10(2-4-11)7-16-13(19)9-17-6-5-15-12(18)8-17/h1-4H,5-9H2,(H,15,18)(H,16,19)
InChIKeyJNVRVDXQTVWLIH-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.13
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 2546535) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID2546535
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)NCc2ccc(F)cc2)CCN1
InChIInChI=1S/C13H16FN3O2/c14-11-3-1-10(2-4-11)7-16-13(19)9-17-6-5-15-12(18)8-17/h1-4H,5-9H2,(H,15,18)(H,16,19)
InChIKeyJNVRVDXQTVWLIH-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 56796707
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 86283839
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924446
N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962997
N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide
CID 136563013
2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 62880126
2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2656976
N-[(4-fluorophenyl)methyl]-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923412
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51172066
2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 2546535) is N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide is O=C1CN(CC(=O)NCc2ccc(F)cc2)CCN1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is JNVRVDXQTVWLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-11-3-1-10(2-4-11)7-16-13(19)9-17-6-5-15-12(18)8-17/h1-4H,5-9H2,(H,15,18)(H,16,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 265.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 2546535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).