N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide

C17H20FN5O — CID 136530919

IUPACN-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nccc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1
InChIInChI=1S/C17H20FN5O/c1-12-14(18)4-3-5-15(12)21-17(24)23-10-8-22(9-11-23)16-6-7-19-13(2)20-16/h3-7H,8-11H2,1-2H3,(H,21,24)
InChIKeyVDAYQISNJVXMIR-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.59
Rot. Bonds2

About N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide

N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 136530919) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID136530919
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC NameN-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nccc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1
InChIInChI=1S/C17H20FN5O/c1-12-14(18)4-3-5-15(12)21-17(24)23-10-8-22(9-11-23)16-6-7-19-13(2)20-16/h3-7H,8-11H2,1-2H3,(H,21,24)
InChIKeyVDAYQISNJVXMIR-UHFFFAOYSA-N
XLogP2.59
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide
CID 56699954
N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920620
N-(3-fluoro-2-methylphenyl)-4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50944903
N-(2-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920931
N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 86791348
2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 75494329
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
N-(2,4-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56919621
N-(2,3-dimethoxyphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122343981
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001194
4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide (CID 136530919) is N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1nccc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is VDAYQISNJVXMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-12-14(18)4-3-5-15(12)21-17(24)23-10-8-22(9-11-23)16-6-7-19-13(2)20-16/h3-7H,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 136530919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).