1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea

C18H28FN3O2 — CID 111111368

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN(CC(O)CNC(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C18H28FN3O2/c1-14-7-10-22(11-8-14)13-16(23)12-21-18(24)20-9-6-15-4-2-3-5-17(15)19/h2-5,14,16,23H,6-13H2,1H3,(H2,20,21,24)
InChIKeyBZMXEYVTGGREHN-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.76
Rot. Bonds7

About 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea

1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 111111368) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID111111368
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN(CC(O)CNC(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C18H28FN3O2/c1-14-7-10-22(11-8-14)13-16(23)12-21-18(24)20-9-6-15-4-2-3-5-17(15)19/h2-5,14,16,23H,6-13H2,1H3,(H2,20,21,24)
InChIKeyBZMXEYVTGGREHN-UHFFFAOYSA-N
XLogP1.76
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trifluorophenyl)urea
CID 111111295
1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 95617929
1-butyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 56785064
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 111112760
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119522
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 56785065
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111111417
1-[(2-fluorophenyl)methyl-methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904922
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide
CID 111112699
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111362243
1-[[3-(dimethylamino)phenyl]methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111413

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea (CID 111111368) is 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea is CC1CCN(CC(O)CNC(=O)NCCc2ccccc2F)CC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is BZMXEYVTGGREHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-14-7-10-22(11-8-14)13-16(23)12-21-18(24)20-9-6-15-4-2-3-5-17(15)19/h2-5,14,16,23H,6-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 337.44 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 111111368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).