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

C14H18FN3O2 — CID 4879952

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C(CN1CCNC(=O)C1)NCCc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c15-12-3-1-11(2-4-12)5-6-16-13(19)9-18-8-7-17-14(20)10-18/h1-4H,5-10H2,(H,16,19)(H,17,20)
InChIKeyIYZLBAQIWLOCQJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP-0.08
Rot. Bonds5

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

N-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 4879952) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID4879952
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C(CN1CCNC(=O)C1)NCCc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c15-12-3-1-11(2-4-12)5-6-16-13(19)9-18-8-7-17-14(20)10-18/h1-4H,5-10H2,(H,16,19)(H,17,20)
InChIKeyIYZLBAQIWLOCQJ-UHFFFAOYSA-N
XLogP-0.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclo(L-leucyl-L-phenylalanyl)
CID 7076347
4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
3,6-Dibenzyl-2,5-dioxopiperazine
CID 16829
Cyclo(-Gly-Phe)
CID 7076549
2-Amino-3-phenyl-1-(piperidin-1-yl)propan-1-one hydrochloride
CID 24761491
N,N'-Dibenzyloxamide
CID 219253
4-Benzylpiperazine-2,6-dione
CID 560967
4-[(2E)-3-phenylprop-2-enoyl]piperazin-2-one
CID 753621
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
3-Benzyl-3,6-dihydropyrazine-2,5-diol
CID 138409
Metalkonium Chloride
CID 7535
N,N-Dimethyl-2-(2-phenylacetamido)acetamide
CID 32995

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 4879952) is N-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide is O=C(CN1CCNC(=O)C1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is IYZLBAQIWLOCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-12-3-1-11(2-4-12)5-6-16-13(19)9-18-8-7-17-14(20)10-18/h1-4H,5-10H2,(H,16,19)(H,17,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 279.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 4879952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).