1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone

C16H21FN4O2 — CID 52986238

IUPAC1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C16H21FN4O2/c1-11(22)20-6-8-21(9-7-20)16(23)15-10-14(18-19-15)12-2-4-13(17)5-3-12/h2-5,14-15,18-19H,6-10H2,1H3
InChIKeyMJUNZRLHFZAKBD-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.42
Rot. Bonds2

About 1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 52986238) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID52986238
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C16H21FN4O2/c1-11(22)20-6-8-21(9-7-20)16(23)15-10-14(18-19-15)12-2-4-13(17)5-3-12/h2-5,14-15,18-19H,6-10H2,1H3
InChIKeyMJUNZRLHFZAKBD-UHFFFAOYSA-N
XLogP0.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone (CID 52986238) is 1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CC(c3ccc(F)cc3)NN2)CC1.
What is the InChIKey of 1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is MJUNZRLHFZAKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-11(22)20-6-8-21(9-7-20)16(23)15-10-14(18-19-15)12-2-4-13(17)5-3-12/h2-5,14-15,18-19H,6-10H2,1H3.
What are the key properties of 1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 320.37 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 52986238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).