1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea

C21H26FN3O2 — CID 25234455

IUPAC1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(Cc2ccc(F)cc2)C(=O)NCc2ccc(O)cc2)CC1
InChIInChI=1S/C21H26FN3O2/c1-24-12-10-19(11-13-24)25(15-17-2-6-18(22)7-3-17)21(27)23-14-16-4-8-20(26)9-5-16/h2-9,19,26H,10-15H2,1H3,(H,23,27)
InChIKeyXUKTZFSDFDUIHQ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.34
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea

1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea (PubChem CID 25234455) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
PubChem CID25234455
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(Cc2ccc(F)cc2)C(=O)NCc2ccc(O)cc2)CC1
InChIInChI=1S/C21H26FN3O2/c1-24-12-10-19(11-13-24)25(15-17-2-6-18(22)7-3-17)21(27)23-14-16-4-8-20(26)9-5-16/h2-9,19,26H,10-15H2,1H3,(H,23,27)
InChIKeyXUKTZFSDFDUIHQ-UHFFFAOYSA-N
XLogP3.34
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea (CID 25234455) is 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea is CN1CCC(N(Cc2ccc(F)cc2)C(=O)NCc2ccc(O)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is XUKTZFSDFDUIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-24-12-10-19(11-13-24)25(15-17-2-6-18(22)7-3-17)21(27)23-14-16-4-8-20(26)9-5-16/h2-9,19,26H,10-15H2,1H3,(H,23,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea?
1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 371.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 25234455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).