1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one

C16H16F2N4O2 — CID 171323755

IUPAC1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one
SMILESCOc1ccnc(N2CCN(Cc3ccc(F)cc3F)C(=O)C2)n1
InChIInChI=1S/C16H16F2N4O2/c1-24-14-4-5-19-16(20-14)22-7-6-21(15(23)10-22)9-11-2-3-12(17)8-13(11)18/h2-5,8H,6-7,9-10H2,1H3
InChIKeyZJAFDLKNKIOZHZ-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.61
Rot. Bonds4

About 1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one

1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one (PubChem CID 171323755) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one
PubChem CID171323755
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one
SMILESCOc1ccnc(N2CCN(Cc3ccc(F)cc3F)C(=O)C2)n1
InChIInChI=1S/C16H16F2N4O2/c1-24-14-4-5-19-16(20-14)22-7-6-21(15(23)10-22)9-11-2-3-12(17)8-13(11)18/h2-5,8H,6-7,9-10H2,1H3
InChIKeyZJAFDLKNKIOZHZ-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one (CID 171323755) is 1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one is COc1ccnc(N2CCN(Cc3ccc(F)cc3F)C(=O)C2)n1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one?
The InChIKey is ZJAFDLKNKIOZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c1-24-14-4-5-19-16(20-14)22-7-6-21(15(23)10-22)9-11-2-3-12(17)8-13(11)18/h2-5,8H,6-7,9-10H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one?
1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one has a molecular weight of 334.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one is sourced from PubChem (CID 171323755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).