4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide

C18H19FN4O2 — CID 133313517

IUPAC4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(N2CCN(c3ccnc(C(N)=O)c3)CC2)c(F)c1
InChIInChI=1S/C18H19FN4O2/c1-12(24)13-2-3-17(15(19)10-13)23-8-6-22(7-9-23)14-4-5-21-16(11-14)18(20)25/h2-5,10-11H,6-9H2,1H3,(H2,20,25)
InChIKeyIXEMBECFNBFXEB-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.85
Rot. Bonds4

About 4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide

4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 133313517) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID133313517
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(N2CCN(c3ccnc(C(N)=O)c3)CC2)c(F)c1
InChIInChI=1S/C18H19FN4O2/c1-12(24)13-2-3-17(15(19)10-13)23-8-6-22(7-9-23)14-4-5-21-16(11-14)18(20)25/h2-5,10-11H,6-9H2,1H3,(H2,20,25)
InChIKeyIXEMBECFNBFXEB-UHFFFAOYSA-N
XLogP1.85
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide
CID 133440629
1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone
CID 114237147
1-[3-fluoro-4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 26447870
(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
CID 119836978
4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133499674
1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 133313515
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
1-[4-[4-(3-aminobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836988
4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide
CID 133313833
1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone
CID 62091090
4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313294
methyl 5-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-nitrobenzoate
CID 36589739

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide (CID 133313517) is 4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide is CC(=O)c1ccc(N2CCN(c3ccnc(C(N)=O)c3)CC2)c(F)c1.
What is the InChIKey of 4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is IXEMBECFNBFXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-12(24)13-2-3-17(15(19)10-13)23-8-6-22(7-9-23)14-4-5-21-16(11-14)18(20)25/h2-5,10-11H,6-9H2,1H3,(H2,20,25).
What are the key properties of 4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 133313517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).