2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide

C19H20FN3O2 — CID 69403152

IUPAC2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20FN3O2/c20-16-8-6-14(7-9-16)17(18(21)24)22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H2,21,24)
InChIKeyBVSHJYUPMLBXGC-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide

2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 69403152) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
PubChem CID69403152
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20FN3O2/c20-16-8-6-14(7-9-16)17(18(21)24)22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H2,21,24)
InChIKeyBVSHJYUPMLBXGC-UHFFFAOYSA-N
XLogP1.81
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide
CID 30807703
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51307935
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51297445
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one
CID 110352133

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide (CID 69403152) is 2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide is NC(=O)C(c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is BVSHJYUPMLBXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-16-8-6-14(7-9-16)17(18(21)24)22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H2,21,24).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 341.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 69403152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).