1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea

C18H24FN3O4 — CID 165119607

IUPAC1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea
SMILESO=C(CO)N1CCC[C@@H](N(C(=O)NCc2ccc(O)cc2F)C2CC2)C1
InChIInChI=1S/C18H24FN3O4/c19-16-8-15(24)6-3-12(16)9-20-18(26)22(13-4-5-13)14-2-1-7-21(10-14)17(25)11-23/h3,6,8,13-14,23-24H,1-2,4-5,7,9-11H2,(H,20,26)/t14-/m1/s1
InChIKeyZVFROPDBHLZAJE-CQSZACIVSA-N
MW365.41 g/mol
LogP1.19
Rot. Bonds5

About 1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea

1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea (PubChem CID 165119607) has the molecular formula C18H24FN3O4 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea
PubChem CID165119607
Molecular FormulaC18H24FN3O4
Molecular Weight365.41 g/mol
Exact Mass365.18
IUPAC Name1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea
SMILESO=C(CO)N1CCC[C@@H](N(C(=O)NCc2ccc(O)cc2F)C2CC2)C1
InChIInChI=1S/C18H24FN3O4/c19-16-8-15(24)6-3-12(16)9-20-18(26)22(13-4-5-13)14-2-1-7-21(10-14)17(25)11-23/h3,6,8,13-14,23-24H,1-2,4-5,7,9-11H2,(H,20,26)/t14-/m1/s1
InChIKeyZVFROPDBHLZAJE-CQSZACIVSA-N
XLogP1.19
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea (CID 165119607) is 1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea is O=C(CO)N1CCC[C@@H](N(C(=O)NCc2ccc(O)cc2F)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea?
The InChIKey is ZVFROPDBHLZAJE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24FN3O4/c19-16-8-15(24)6-3-12(16)9-20-18(26)22(13-4-5-13)14-2-1-7-21(10-14)17(25)11-23/h3,6,8,13-14,23-24H,1-2,4-5,7,9-11H2,(H,20,26)/t14-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea?
1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea has a molecular weight of 365.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea is sourced from PubChem (CID 165119607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).