4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one

C16H23FN4O — CID 75593656

IUPAC4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one
SMILESCC1C(=O)N(C)CCN1CC1CNNC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN4O/c1-11-16(22)20(2)7-8-21(11)10-13-9-18-19-15(13)12-3-5-14(17)6-4-12/h3-6,11,13,15,18-19H,7-10H2,1-2H3
InChIKeyDXYRNYVIVKTUSP-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.75
Rot. Bonds3

About 4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one

4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one (PubChem CID 75593656) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one
PubChem CID75593656
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC Name4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one
SMILESCC1C(=O)N(C)CCN1CC1CNNC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN4O/c1-11-16(22)20(2)7-8-21(11)10-13-9-18-19-15(13)12-3-5-14(17)6-4-12/h3-6,11,13,15,18-19H,7-10H2,1-2H3
InChIKeyDXYRNYVIVKTUSP-UHFFFAOYSA-N
XLogP0.75
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one (CID 75593656) is 4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one is CC1C(=O)N(C)CCN1CC1CNNC1c1ccc(F)cc1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one?
The InChIKey is DXYRNYVIVKTUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-11-16(22)20(2)7-8-21(11)10-13-9-18-19-15(13)12-3-5-14(17)6-4-12/h3-6,11,13,15,18-19H,7-10H2,1-2H3.
What are the key properties of 4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one?
4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one has a molecular weight of 306.38 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 75593656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).