N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide

C21H22FN3O4 — CID 113097646

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccccc1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H22FN3O4/c1-29-18-9-5-2-6-15(18)20(27)21(28)23-14-19(26)25-12-10-24(11-13-25)17-8-4-3-7-16(17)22/h2-9H,10-14H2,1H3,(H,23,28)
InChIKeyAHMRCFGWCVVVIO-UHFFFAOYSA-N
MW399.42 g/mol
LogP1.48
Rot. Bonds6

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide (PubChem CID 113097646) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide
PubChem CID113097646
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccccc1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H22FN3O4/c1-29-18-9-5-2-6-15(18)20(27)21(28)23-14-19(26)25-12-10-24(11-13-25)17-8-4-3-7-16(17)22/h2-9H,10-14H2,1H3,(H,23,28)
InChIKeyAHMRCFGWCVVVIO-UHFFFAOYSA-N
XLogP1.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methylphenyl)-2-oxoacetamide
CID 113097868
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 7417593
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
ethyl 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097878
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide
CID 113097654
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55397391
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
CID 109004460
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748952
methyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate
CID 109004477

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide (CID 113097646) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide is COc1ccccc1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide?
The InChIKey is AHMRCFGWCVVVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-29-18-9-5-2-6-15(18)20(27)21(28)23-14-19(26)25-12-10-24(11-13-25)17-8-4-3-7-16(17)22/h2-9H,10-14H2,1H3,(H,23,28).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide has a molecular weight of 399.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 113097646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).