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

C20H29FN4O2S — CID 74811360

IUPAC[5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(C1CC(COc2ccccc2F)NN1)N1CCC(N2CCSCC2)CC1
InChIInChI=1S/C20H29FN4O2S/c21-17-3-1-2-4-19(17)27-14-15-13-18(23-22-15)20(26)25-7-5-16(6-8-25)24-9-11-28-12-10-24/h1-4,15-16,18,22-23H,5-14H2
InChIKeyPQPHFBXMJPZVLG-UHFFFAOYSA-N
MW408.54 g/mol
LogP1.48
Rot. Bonds5

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

[5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 74811360) has the molecular formula C20H29FN4O2S and a molecular weight of 408.54 g/mol. Its IUPAC name is [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
PubChem CID74811360
Molecular FormulaC20H29FN4O2S
Molecular Weight408.54 g/mol
Exact Mass408.20
IUPAC Name[5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(C1CC(COc2ccccc2F)NN1)N1CCC(N2CCSCC2)CC1
InChIInChI=1S/C20H29FN4O2S/c21-17-3-1-2-4-19(17)27-14-15-13-18(23-22-15)20(26)25-7-5-16(6-8-25)24-9-11-28-12-10-24/h1-4,15-16,18,22-23H,5-14H2
InChIKeyPQPHFBXMJPZVLG-UHFFFAOYSA-N
XLogP1.48
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone 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 [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone (CID 74811360) is [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone is O=C(C1CC(COc2ccccc2F)NN1)N1CCC(N2CCSCC2)CC1.
What is the InChIKey of [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is PQPHFBXMJPZVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2S/c21-17-3-1-2-4-19(17)27-14-15-13-18(23-22-15)20(26)25-7-5-16(6-8-25)24-9-11-28-12-10-24/h1-4,15-16,18,22-23H,5-14H2.
What are the key properties of [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
[5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 408.54 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 74811360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).