4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide

C13H16FN3O2 — CID 110086720

IUPAC4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCNC(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FN3O2/c1-9(18)17-7-6-15-12(8-17)13(19)16-11-4-2-10(14)3-5-11/h2-5,12,15H,6-8H2,1H3,(H,16,19)
InChIKeyOFAMDHMMAWILSP-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.58
Rot. Bonds2

About 4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide

4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide (PubChem CID 110086720) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide
PubChem CID110086720
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCNC(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FN3O2/c1-9(18)17-7-6-15-12(8-17)13(19)16-11-4-2-10(14)3-5-11/h2-5,12,15H,6-8H2,1H3,(H,16,19)
InChIKeyOFAMDHMMAWILSP-UHFFFAOYSA-N
XLogP0.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide
CID 124987342
N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide
CID 56904879
N-(4-fluorophenyl)piperazine-2-carboxamide
CID 63103447
4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide
CID 70061354
(2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 124945908
(2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide
CID 124978428
3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108944941
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75220517
tert-butyl 3-[2-(4-fluorophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 167356878
N-(4-acetamidophenyl)piperazine-2-carboxamide
CID 63103626
4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide
CID 115177936

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide?
The IUPAC name of 4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide (CID 110086720) is 4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide is CC(=O)N1CCNC(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide?
The InChIKey is OFAMDHMMAWILSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-9(18)17-7-6-15-12(8-17)13(19)16-11-4-2-10(14)3-5-11/h2-5,12,15H,6-8H2,1H3,(H,16,19).
What are the key properties of 4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide?
4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide is sourced from PubChem (CID 110086720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).