1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea

C20H24FN3O2 — CID 86837879

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea
SMILESO=C(NCC(O)c1ccc(F)cc1)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C20H24FN3O2/c21-16-9-7-15(8-10-16)19(25)14-22-20(26)23-17-5-4-6-18(13-17)24-11-2-1-3-12-24/h4-10,13,19,25H,1-3,11-12,14H2,(H2,22,23,26)
InChIKeyZNNSAECPAXQKMC-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea (PubChem CID 86837879) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea
PubChem CID86837879
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea
SMILESO=C(NCC(O)c1ccc(F)cc1)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C20H24FN3O2/c21-16-9-7-15(8-10-16)19(25)14-22-20(26)23-17-5-4-6-18(13-17)24-11-2-1-3-12-24/h4-10,13,19,25H,1-3,11-12,14H2,(H2,22,23,26)
InChIKeyZNNSAECPAXQKMC-UHFFFAOYSA-N
XLogP3.67
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea (CID 86837879) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea is O=C(NCC(O)c1ccc(F)cc1)Nc1cccc(N2CCCCC2)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea?
The InChIKey is ZNNSAECPAXQKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-16-9-7-15(8-10-16)19(25)14-22-20(26)23-17-5-4-6-18(13-17)24-11-2-1-3-12-24/h4-10,13,19,25H,1-3,11-12,14H2,(H2,22,23,26).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea has a molecular weight of 357.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 86837879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).