1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea

C16H24FN3O2 — CID 95760153

IUPAC1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea
SMILESCCNC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C16H24FN3O2/c1-3-18-16(22)19-11(2)14-10-12(17)4-5-15(14)20-8-6-13(21)7-9-20/h4-5,10-11,13,21H,3,6-9H2,1-2H3,(H2,18,19,22)/t11-/m1/s1
InChIKeyXYLHDWVBQFEQGS-LLVKDONJSA-N
MW309.39 g/mol
LogP2.17
Rot. Bonds4

About 1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea

1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea (PubChem CID 95760153) has the molecular formula C16H24FN3O2 and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea
PubChem CID95760153
Molecular FormulaC16H24FN3O2
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC Name1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea
SMILESCCNC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C16H24FN3O2/c1-3-18-16(22)19-11(2)14-10-12(17)4-5-15(14)20-8-6-13(21)7-9-20/h4-5,10-11,13,21H,3,6-9H2,1-2H3,(H2,18,19,22)/t11-/m1/s1
InChIKeyXYLHDWVBQFEQGS-LLVKDONJSA-N
XLogP2.17
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea with MolForge

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Related Compounds

1-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95760155
2-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-2-oxoacetic acid
CID 119034038
1-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-[3-(1H-indol-3-yl)propyl]urea
CID 86899681
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide
CID 71921965
(2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 124688498
(2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide
CID 124691177
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 111696050
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 97020577
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97052098
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 71921969
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
CID 126801869
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-1H-indazole-3-carboxamide
CID 139012691

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea?
The IUPAC name of 1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea (CID 95760153) is 1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea?
The canonical SMILES for 1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea is CCNC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of 1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea?
The InChIKey is XYLHDWVBQFEQGS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-3-18-16(22)19-11(2)14-10-12(17)4-5-15(14)20-8-6-13(21)7-9-20/h4-5,10-11,13,21H,3,6-9H2,1-2H3,(H2,18,19,22)/t11-/m1/s1.
What are the key properties of 1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea?
1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea has a molecular weight of 309.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea is sourced from PubChem (CID 95760153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).