1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea

C14H20FN3O — CID 6465724

IUPAC1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1cccc(F)c1
InChIInChI=1S/C14H20FN3O/c15-12-5-4-6-13(11-12)17-14(19)16-7-10-18-8-2-1-3-9-18/h4-6,11H,1-3,7-10H2,(H2,16,17,19)
InChIKeyZPRGGLFECQZOAZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea

1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 6465724) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID6465724
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1cccc(F)c1
InChIInChI=1S/C14H20FN3O/c15-12-5-4-6-13(11-12)17-14(19)16-7-10-18-8-2-1-3-9-18/h4-6,11H,1-3,7-10H2,(H2,16,17,19)
InChIKeyZPRGGLFECQZOAZ-UHFFFAOYSA-N
XLogP2.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea (CID 6465724) is 1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea is O=C(NCCN1CCCCC1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is ZPRGGLFECQZOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-12-5-4-6-13(11-12)17-14(19)16-7-10-18-8-2-1-3-9-18/h4-6,11H,1-3,7-10H2,(H2,16,17,19).
What are the key properties of 1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 265.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 6465724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).