[5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone

C16H23FN4O2 — CID 74810861

IUPAC[5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CC(COc3ccccc3F)NN2)CC1
InChIInChI=1S/C16H23FN4O2/c1-20-6-8-21(9-7-20)16(22)14-10-12(18-19-14)11-23-15-5-3-2-4-13(15)17/h2-5,12,14,18-19H,6-11H2,1H3
InChIKeyFGJLDQKXJDXPGS-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.21
Rot. Bonds4

About [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone

[5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 74810861) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID74810861
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name[5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CC(COc3ccccc3F)NN2)CC1
InChIInChI=1S/C16H23FN4O2/c1-20-6-8-21(9-7-20)16(22)14-10-12(18-19-14)11-23-15-5-3-2-4-13(15)17/h2-5,12,14,18-19H,6-11H2,1H3
InChIKeyFGJLDQKXJDXPGS-UHFFFAOYSA-N
XLogP0.21
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 74810861) is [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CC(COc3ccccc3F)NN2)CC1.
What is the InChIKey of [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FGJLDQKXJDXPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-20-6-8-21(9-7-20)16(22)14-10-12(18-19-14)11-23-15-5-3-2-4-13(15)17/h2-5,12,14,18-19H,6-11H2,1H3.
What are the key properties of [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 322.38 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 74810861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).