1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea

C20H24FN3O2 — CID 112970406

IUPAC1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea
SMILESO=C(NCCOc1cccc(F)c1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H24FN3O2/c21-16-5-4-6-19(15-16)26-14-11-22-20(25)23-17-7-9-18(10-8-17)24-12-2-1-3-13-24/h4-10,15H,1-3,11-14H2,(H2,22,23,25)
InChIKeyJOCRIVKXDRBBGL-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.02
Rot. Bonds6

About 1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea

1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea (PubChem CID 112970406) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea
PubChem CID112970406
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea
SMILESO=C(NCCOc1cccc(F)c1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H24FN3O2/c21-16-5-4-6-19(15-16)26-14-11-22-20(25)23-17-7-9-18(10-8-17)24-12-2-1-3-13-24/h4-10,15H,1-3,11-14H2,(H2,22,23,25)
InChIKeyJOCRIVKXDRBBGL-UHFFFAOYSA-N
XLogP4.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,5-dimethylphenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 112974029
1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975907
1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970404
1-[2-(3-ethoxyphenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 112973086
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea
CID 154773806
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108882485
1-[2-(3-methylphenoxy)ethyl]-3-[4-(3-oxopiperazin-1-yl)phenyl]urea
CID 47039732
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
1-[2-(3,5-dimethylphenoxy)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 112974032
1-[2-(3-methylphenyl)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108900783

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea (CID 112970406) is 1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea is O=C(NCCOc1cccc(F)c1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea?
The InChIKey is JOCRIVKXDRBBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-16-5-4-6-19(15-16)26-14-11-22-20(25)23-17-7-9-18(10-8-17)24-12-2-1-3-13-24/h4-10,15H,1-3,11-14H2,(H2,22,23,25).
What are the key properties of 1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea?
1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea has a molecular weight of 357.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 112970406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).