2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

C15H21FN3O2+ — CID 8904385

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O2/c1-12(20)19-8-6-18(7-9-19)11-15(21)17-10-13-2-4-14(16)5-3-13/h2-5H,6-11H2,1H3,(H,17,21)/p+1
InChIKeyWQNFPXBWRPZSOH-UHFFFAOYSA-O
MW294.35 g/mol
LogP-0.81
Rot. Bonds4

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 8904385) has the molecular formula C15H21FN3O2+ and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID8904385
Molecular FormulaC15H21FN3O2+
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O2/c1-12(20)19-8-6-18(7-9-19)11-15(21)17-10-13-2-4-14(16)5-3-13/h2-5H,6-11H2,1H3,(H,17,21)/p+1
InChIKeyWQNFPXBWRPZSOH-UHFFFAOYSA-O
XLogP-0.81
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8528325
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9435200
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8904357
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2479284
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7830382
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide
CID 7435772
methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 47300199
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
N-[(4-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2654793
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95319020
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542693

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 8904385) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)N1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is WQNFPXBWRPZSOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20FN3O2/c1-12(20)19-8-6-18(7-9-19)11-15(21)17-10-13-2-4-14(16)5-3-13/h2-5H,6-11H2,1H3,(H,17,21)/p+1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 8904385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).