2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide

C15H17ClFN3O4 — CID 91766846

IUPAC2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H17ClFN3O4/c1-18-13(21)7-12-15(23)19-4-5-20(12)14(22)8-24-9-2-3-11(17)10(16)6-9/h2-3,6,12H,4-5,7-8H2,1H3,(H,18,21)(H,19,23)
InChIKeyJUOZNVFGYQHEIV-UHFFFAOYSA-N
MW357.77 g/mol
LogP0.32
Rot. Bonds5

About 2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide

2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 91766846) has the molecular formula C15H17ClFN3O4 and a molecular weight of 357.77 g/mol. Its IUPAC name is 2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID91766846
Molecular FormulaC15H17ClFN3O4
Molecular Weight357.77 g/mol
Exact Mass357.09
IUPAC Name2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H17ClFN3O4/c1-18-13(21)7-12-15(23)19-4-5-20(12)14(22)8-24-9-2-3-11(17)10(16)6-9/h2-3,6,12H,4-5,7-8H2,1H3,(H,18,21)(H,19,23)
InChIKeyJUOZNVFGYQHEIV-UHFFFAOYSA-N
XLogP0.32
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 2919627
4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one
CID 63600667
butyl 2-[1-[2-(3-chloro-4-fluoroanilino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54818932
methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 47014513
propyl 2-[1-[2-(3-chloro-4-fluoroanilino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54818689
2-[1-(3-chloro-4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 82872889
4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one
CID 63600651
methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005065
ethyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4944950
4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110644941
3-methylbutyl 2-[1-(2-naphthalen-2-yloxyacetyl)-3-oxopiperazin-2-yl]acetate
CID 17079709
4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
CID 110656825

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide (CID 91766846) is 2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide is CNC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is JUOZNVFGYQHEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O4/c1-18-13(21)7-12-15(23)19-4-5-20(12)14(22)8-24-9-2-3-11(17)10(16)6-9/h2-3,6,12H,4-5,7-8H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 357.77 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 91766846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).