N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide

C16H18F3N3O5 — CID 2969220

IUPACN-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CC2C(=O)NCCN2C(=O)C(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O5/c1-26-9-3-4-12(27-2)10(7-9)21-13(23)8-11-14(24)20-5-6-22(11)15(25)16(17,18)19/h3-4,7,11H,5-6,8H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyNTGIMUMGGGJCBL-UHFFFAOYSA-N
MW389.33 g/mol
LogP0.92
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide (PubChem CID 2969220) has the molecular formula C16H18F3N3O5 and a molecular weight of 389.33 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide
PubChem CID2969220
Molecular FormulaC16H18F3N3O5
Molecular Weight389.33 g/mol
Exact Mass389.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CC2C(=O)NCCN2C(=O)C(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O5/c1-26-9-3-4-12(27-2)10(7-9)21-13(23)8-11-14(24)20-5-6-22(11)15(25)16(17,18)19/h3-4,7,11H,5-6,8H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyNTGIMUMGGGJCBL-UHFFFAOYSA-N
XLogP0.92
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-Dimethoxyphenyl)piperazine
CID 2758473
N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 2956602
1-Ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2950914
1-(2-Methoxy-phenyl)-3-methyl-piperazin-2-one hydrochloride
CID 24747043
N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149662
1-allyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1483582
3-Azepan-1-yl-N-(2,5-dimethoxy-phenyl)-propionamide
CID 2901026
4-Morpholineacetamide, N-(3-methoxyphenyl)-
CID 218187
N-{2,5-Dimethoxy-4-[3-(2-methoxy-phenyl)-ureido]-phenyl}-2-piperidin-1-yl-acetamide
CID 647186
N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 651777
N-[2,5-Dimethoxy-4-(3-phenyl-ureido)-phenyl]-2-piperidin-1-yl-acetamide
CID 652478
N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1090683

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide (CID 2969220) is N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide is COc1ccc(OC)c(NC(=O)CC2C(=O)NCCN2C(=O)C(F)(F)F)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide?
The InChIKey is NTGIMUMGGGJCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O5/c1-26-9-3-4-12(27-2)10(7-9)21-13(23)8-11-14(24)20-5-6-22(11)15(25)16(17,18)19/h3-4,7,11H,5-6,8H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide has a molecular weight of 389.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 2969220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).