1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone

C18H20F2N4O — CID 154703939

IUPAC1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc(-c3cc(C)nc(F)n3)c(F)c2)CC1
InChIInChI=1S/C18H20F2N4O/c1-12-9-17(22-18(20)21-12)15-4-3-14(10-16(15)19)11-23-5-7-24(8-6-23)13(2)25/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyIFKIIMYZRZLDEE-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.39
Rot. Bonds3

About 1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone

1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 154703939) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID154703939
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc(-c3cc(C)nc(F)n3)c(F)c2)CC1
InChIInChI=1S/C18H20F2N4O/c1-12-9-17(22-18(20)21-12)15-4-3-14(10-16(15)19)11-23-5-7-24(8-6-23)13(2)25/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyIFKIIMYZRZLDEE-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997
1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone
CID 123847474
1-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]ethanone
CID 756967
1-[4-[[4-(chloromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 175453209
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 32767746
2-amino-1-[4-[(4-fluoro-3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 82486701
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 43010658
1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone
CID 30981259
1-[4-[[3-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]methyl]piperazin-1-yl]ethanone
CID 156534539
1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 171912522
5-[5-[(4-acetylpiperazin-1-yl)methyl]-2-methylphenyl]-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 54579119
1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone
CID 136571992

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone (CID 154703939) is 1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccc(-c3cc(C)nc(F)n3)c(F)c2)CC1.
What is the InChIKey of 1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is IFKIIMYZRZLDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-12-9-17(22-18(20)21-12)15-4-3-14(10-16(15)19)11-23-5-7-24(8-6-23)13(2)25/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 346.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-fluoro-4-(2-fluoro-6-methylpyrimidin-4-yl)phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 154703939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).