2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide

C18H29FN4O2+2 — CID 8719175

IUPAC2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCN(CC)C(=O)C[NH+]1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN4O2/c1-3-23(4-2)18(25)14-22-11-9-21(10-12-22)13-17(24)20-16-7-5-15(19)6-8-16/h5-8H,3-4,9-14H2,1-2H3,(H,20,24)/p+2
InChIKeyHVWMCGSVGOXODM-UHFFFAOYSA-P
MW352.45 g/mol
LogP-1.58
Rot. Bonds7

About 2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 8719175) has the molecular formula C18H29FN4O2+2 and a molecular weight of 352.45 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID8719175
Molecular FormulaC18H29FN4O2+2
Molecular Weight352.45 g/mol
Exact Mass352.23
IUPAC Name2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCN(CC)C(=O)C[NH+]1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN4O2/c1-3-23(4-2)18(25)14-22-11-9-21(10-12-22)13-17(24)20-16-7-5-15(19)6-8-16/h5-8H,3-4,9-14H2,1-2H3,(H,20,24)/p+2
InChIKeyHVWMCGSVGOXODM-UHFFFAOYSA-P
XLogP-1.58
TPSA58.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711138
2-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719133
2-[4-[(2-ethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719288
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide
CID 5155461
2-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 9435957
2-[2-(diethylamino)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076319
N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 8896631
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8704189
2-[4-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711156
2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719369
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-phenylethyl)acetamide
CID 9435923
(2S)-N-(4-chlorophenyl)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]propanamide
CID 9435995

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide (CID 8719175) is 2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide is CCN(CC)C(=O)C[NH+]1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is HVWMCGSVGOXODM-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H27FN4O2/c1-3-23(4-2)18(25)14-22-11-9-21(10-12-22)13-17(24)20-16-7-5-15(19)6-8-16/h5-8H,3-4,9-14H2,1-2H3,(H,20,24)/p+2.
What are the key properties of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 352.45 g/mol, XLogP of -1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8719175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).