N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide

C18H19FN4O2 — CID 120731504

IUPACN-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C18H19FN4O2/c1-12(24)22-14-4-5-16(19)15(9-14)18(25)23-8-7-21-11-17(23)13-3-2-6-20-10-13/h2-6,9-10,17,21H,7-8,11H2,1H3,(H,22,24)
InChIKeyJRJIFUZCWCMYBV-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.97
Rot. Bonds3

About N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide

N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 120731504) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID120731504
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C18H19FN4O2/c1-12(24)22-14-4-5-16(19)15(9-14)18(25)23-8-7-21-11-17(23)13-3-2-6-20-10-13/h2-6,9-10,17,21H,7-8,11H2,1H3,(H,22,24)
InChIKeyJRJIFUZCWCMYBV-UHFFFAOYSA-N
XLogP1.97
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728867
[4-fluoro-3-(methylsulfanylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730890
(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide (CID 120731504) is N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(F)c(C(=O)N2CCNCC2c2cccnc2)c1.
What is the InChIKey of N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is JRJIFUZCWCMYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-12(24)22-14-4-5-16(19)15(9-14)18(25)23-8-7-21-11-17(23)13-3-2-6-20-10-13/h2-6,9-10,17,21H,7-8,11H2,1H3,(H,22,24).
What are the key properties of N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide?
N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 342.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 120731504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).