1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea

C17H24FN3O2 — CID 110929833

IUPAC1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea
SMILESCC1CC1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C17H24FN3O2/c1-11-8-15(11)20-17(23)19-10-12-2-3-16(14(18)9-12)21-6-4-13(22)5-7-21/h2-3,9,11,13,15,22H,4-8,10H2,1H3,(H2,19,20,23)
InChIKeyRGMWUZAUAVDRLT-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.99
Rot. Bonds4

About 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea

1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea (PubChem CID 110929833) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea.

Molecular Properties

Compound Name1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea
PubChem CID110929833
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea
SMILESCC1CC1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C17H24FN3O2/c1-11-8-15(11)20-17(23)19-10-12-2-3-16(14(18)9-12)21-6-4-13(22)5-7-21/h2-3,9,11,13,15,22H,4-8,10H2,1H3,(H2,19,20,23)
InChIKeyRGMWUZAUAVDRLT-UHFFFAOYSA-N
XLogP1.99
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea?
The IUPAC name of 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea (CID 110929833) is 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea.
What is the SMILES notation for 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea?
The canonical SMILES for 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea is CC1CC1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1.
What is the InChIKey of 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea?
The InChIKey is RGMWUZAUAVDRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-11-8-15(11)20-17(23)19-10-12-2-3-16(14(18)9-12)21-6-4-13(22)5-7-21/h2-3,9,11,13,15,22H,4-8,10H2,1H3,(H2,19,20,23).
What are the key properties of 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea?
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea has a molecular weight of 321.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea is sourced from PubChem (CID 110929833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).