N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide

C15H15F2N5O — CID 56904879

IUPACN-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CN(c2ncc(F)cn2)CCN1
InChIInChI=1S/C15H15F2N5O/c16-10-1-3-12(4-2-10)21-14(23)13-9-22(6-5-18-13)15-19-7-11(17)8-20-15/h1-4,7-8,13,18H,5-6,9H2,(H,21,23)
InChIKeyBYKWPEZLCGYFRI-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.17
Rot. Bonds3

About N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide

N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide (PubChem CID 56904879) has the molecular formula C15H15F2N5O and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide
PubChem CID56904879
Molecular FormulaC15H15F2N5O
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC NameN-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CN(c2ncc(F)cn2)CCN1
InChIInChI=1S/C15H15F2N5O/c16-10-1-3-12(4-2-10)21-14(23)13-9-22(6-5-18-13)15-19-7-11(17)8-20-15/h1-4,7-8,13,18H,5-6,9H2,(H,21,23)
InChIKeyBYKWPEZLCGYFRI-UHFFFAOYSA-N
XLogP1.17
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide (CID 56904879) is N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide is O=C(Nc1ccc(F)cc1)C1CN(c2ncc(F)cn2)CCN1.
What is the InChIKey of N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide?
The InChIKey is BYKWPEZLCGYFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O/c16-10-1-3-12(4-2-10)21-14(23)13-9-22(6-5-18-13)15-19-7-11(17)8-20-15/h1-4,7-8,13,18H,5-6,9H2,(H,21,23).
What are the key properties of N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide?
N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide is sourced from PubChem (CID 56904879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).