1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea

C17H24FN3O2 — CID 84595212

IUPAC1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea
SMILESCC1(NC(=O)NC2CCCN(c3ccccc3F)C2)CCOC1
InChIInChI=1S/C17H24FN3O2/c1-17(8-10-23-12-17)20-16(22)19-13-5-4-9-21(11-13)15-7-3-2-6-14(15)18/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,19,20,22)
InChIKeyAOXUXGZWIZYOQD-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.27
Rot. Bonds3

About 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea

1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea (PubChem CID 84595212) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea
PubChem CID84595212
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea
SMILESCC1(NC(=O)NC2CCCN(c3ccccc3F)C2)CCOC1
InChIInChI=1S/C17H24FN3O2/c1-17(8-10-23-12-17)20-16(22)19-13-5-4-9-21(11-13)15-7-3-2-6-14(15)18/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,19,20,22)
InChIKeyAOXUXGZWIZYOQD-UHFFFAOYSA-N
XLogP2.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea?
The IUPAC name of 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea (CID 84595212) is 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea?
The canonical SMILES for 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea is CC1(NC(=O)NC2CCCN(c3ccccc3F)C2)CCOC1.
What is the InChIKey of 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea?
The InChIKey is AOXUXGZWIZYOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-17(8-10-23-12-17)20-16(22)19-13-5-4-9-21(11-13)15-7-3-2-6-14(15)18/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,19,20,22).
What are the key properties of 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea?
1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea has a molecular weight of 321.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-(3-methyloxolan-3-yl)urea is sourced from PubChem (CID 84595212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).