1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea

C21H26FN3O3 — CID 72924084

IUPAC1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
SMILESCN1CCC(Oc2ccc(NC(=O)NCCOc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H26FN3O3/c1-25-13-10-20(11-14-25)28-19-8-4-17(5-9-19)24-21(26)23-12-15-27-18-6-2-16(22)3-7-18/h2-9,20H,10-15H2,1H3,(H2,23,24,26)
InChIKeyPCQIHADVLCASAL-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.50
Rot. Bonds7

About 1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea

1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea (PubChem CID 72924084) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
PubChem CID72924084
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
SMILESCN1CCC(Oc2ccc(NC(=O)NCCOc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H26FN3O3/c1-25-13-10-20(11-14-25)28-19-8-4-17(5-9-19)24-21(26)23-12-15-27-18-6-2-16(22)3-7-18/h2-9,20H,10-15H2,1H3,(H2,23,24,26)
InChIKeyPCQIHADVLCASAL-UHFFFAOYSA-N
XLogP3.50
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate
CID 5112796
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
1-(3,4-difluorophenyl)-3-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]propyl]urea
CID 11696845
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 118792906
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
CID 131934085
1-[2-(3,5-dimethylphenoxy)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 112974032
1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974631
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea (CID 72924084) is 1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea is CN1CCC(Oc2ccc(NC(=O)NCCOc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The InChIKey is PCQIHADVLCASAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-25-13-10-20(11-14-25)28-19-8-4-17(5-9-19)24-21(26)23-12-15-27-18-6-2-16(22)3-7-18/h2-9,20H,10-15H2,1H3,(H2,23,24,26).
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea has a molecular weight of 387.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 72924084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).