[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone

C20H24FN3O3 — CID 90616710

IUPAC[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1
InChIInChI=1S/C20H24FN3O3/c21-17-3-1-2-4-18(17)26-16-8-13-23(14-9-16)15-6-11-24(12-7-15)20(25)19-5-10-22-27-19/h1-5,10,15-16H,6-9,11-14H2
InChIKeyKXKGSXFBKAIOCR-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.96
Rot. Bonds4

About [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone

[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 90616710) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID90616710
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1
InChIInChI=1S/C20H24FN3O3/c21-17-3-1-2-4-18(17)26-16-8-13-23(14-9-16)15-6-11-24(12-7-15)20(25)19-5-10-22-27-19/h1-5,10,15-16H,6-9,11-14H2
InChIKeyKXKGSXFBKAIOCR-UHFFFAOYSA-N
XLogP2.96
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 90616710) is [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is O=C(c1ccno1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1.
What is the InChIKey of [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is KXKGSXFBKAIOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c21-17-3-1-2-4-18(17)26-16-8-13-23(14-9-16)15-6-11-24(12-7-15)20(25)19-5-10-22-27-19/h1-5,10,15-16H,6-9,11-14H2.
What are the key properties of [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 373.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 90616710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).