3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

C17H24FN3O2 — CID 111424362

IUPAC3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C17H24FN3O2/c1-2-8-20(10-11-22)17(23)19-15-6-4-9-21(13-15)16-7-3-5-14(18)12-16/h2-3,5,7,12,15,22H,1,4,6,8-11,13H2,(H,19,23)
InChIKeyRGLIFDROJOVIAJ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.98
Rot. Bonds6

About 3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 111424362) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID111424362
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C17H24FN3O2/c1-2-8-20(10-11-22)17(23)19-15-6-4-9-21(13-15)16-7-3-5-14(18)12-16/h2-3,5,7,12,15,22H,1,4,6,8-11,13H2,(H,19,23)
InChIKeyRGLIFDROJOVIAJ-UHFFFAOYSA-N
XLogP1.98
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 111424362) is 3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)NC1CCCN(c2cccc(F)c2)C1.
What is the InChIKey of 3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is RGLIFDROJOVIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-2-8-20(10-11-22)17(23)19-15-6-4-9-21(13-15)16-7-3-5-14(18)12-16/h2-3,5,7,12,15,22H,1,4,6,8-11,13H2,(H,19,23).
What are the key properties of 3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 321.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 111424362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).