(3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol

C19H24FN3O3 — CID 165418264

IUPAC(3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
SMILESOC[C@]1(Cc2ccc(F)cc2)CN(c2nnc(C3CCC3)o2)CC[C@@H]1O
InChIInChI=1S/C19H24FN3O3/c20-15-6-4-13(5-7-15)10-19(12-24)11-23(9-8-16(19)25)18-22-21-17(26-18)14-2-1-3-14/h4-7,14,16,24-25H,1-3,8-12H2/t16-,19-/m0/s1
InChIKeyHYLQUBIVTGEGLU-LPHOPBHVSA-N
MW361.42 g/mol
LogP2.27
Rot. Bonds5

About (3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol

(3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol (PubChem CID 165418264) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is (3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
PubChem CID165418264
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name(3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
SMILESOC[C@]1(Cc2ccc(F)cc2)CN(c2nnc(C3CCC3)o2)CC[C@@H]1O
InChIInChI=1S/C19H24FN3O3/c20-15-6-4-13(5-7-15)10-19(12-24)11-23(9-8-16(19)25)18-22-21-17(26-18)14-2-1-3-14/h4-7,14,16,24-25H,1-3,8-12H2/t16-,19-/m0/s1
InChIKeyHYLQUBIVTGEGLU-LPHOPBHVSA-N
XLogP2.27
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of (3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol (CID 165418264) is (3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol is OC[C@]1(Cc2ccc(F)cc2)CN(c2nnc(C3CCC3)o2)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol?
The InChIKey is HYLQUBIVTGEGLU-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H24FN3O3/c20-15-6-4-13(5-7-15)10-19(12-24)11-23(9-8-16(19)25)18-22-21-17(26-18)14-2-1-3-14/h4-7,14,16,24-25H,1-3,8-12H2/t16-,19-/m0/s1.
What are the key properties of (3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol?
(3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol has a molecular weight of 361.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 165418264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).