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

C21H25FN4O2 — CID 75099692

IUPAC[5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1CC(COc2cccc(F)c2)NN1)N1CCCCC1c1ccccn1
InChIInChI=1S/C21H25FN4O2/c22-15-6-5-7-17(12-15)28-14-16-13-19(25-24-16)21(27)26-11-4-2-9-20(26)18-8-1-3-10-23-18/h1,3,5-8,10,12,16,19-20,24-25H,2,4,9,11,13-14H2
InChIKeyBDZCFXGABUCTTO-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.59
Rot. Bonds5

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

[5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 75099692) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is [5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID75099692
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name[5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1CC(COc2cccc(F)c2)NN1)N1CCCCC1c1ccccn1
InChIInChI=1S/C21H25FN4O2/c22-15-6-5-7-17(12-15)28-14-16-13-19(25-24-16)21(27)26-11-4-2-9-20(26)18-8-1-3-10-23-18/h1,3,5-8,10,12,16,19-20,24-25H,2,4,9,11,13-14H2
InChIKeyBDZCFXGABUCTTO-UHFFFAOYSA-N
XLogP2.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone (CID 75099692) is [5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone is O=C(C1CC(COc2cccc(F)c2)NN1)N1CCCCC1c1ccccn1.
What is the InChIKey of [5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is BDZCFXGABUCTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-15-6-5-7-17(12-15)28-14-16-13-19(25-24-16)21(27)26-11-4-2-9-20(26)18-8-1-3-10-23-18/h1,3,5-8,10,12,16,19-20,24-25H,2,4,9,11,13-14H2.
What are the key properties of [5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone?
[5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 384.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 75099692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).