1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine

C23H30FN3O — CID 138707891

IUPAC1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine
SMILESFc1ccc(-n2cc(OCC3CCN(C4CCC4)CC3)c(C3CCC3)n2)cc1
InChIInChI=1S/C23H30FN3O/c24-19-7-9-21(10-8-19)27-15-22(23(25-27)18-3-1-4-18)28-16-17-11-13-26(14-12-17)20-5-2-6-20/h7-10,15,17-18,20H,1-6,11-14,16H2
InChIKeyHDTRUPGSEOWRCX-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.92
Rot. Bonds6

About 1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine

1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine (PubChem CID 138707891) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine
PubChem CID138707891
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine
SMILESFc1ccc(-n2cc(OCC3CCN(C4CCC4)CC3)c(C3CCC3)n2)cc1
InChIInChI=1S/C23H30FN3O/c24-19-7-9-21(10-8-19)27-15-22(23(25-27)18-3-1-4-18)28-16-17-11-13-26(14-12-17)20-5-2-6-20/h7-10,15,17-18,20H,1-6,11-14,16H2
InChIKeyHDTRUPGSEOWRCX-UHFFFAOYSA-N
XLogP4.92
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine?
The IUPAC name of 1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine (CID 138707891) is 1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine.
What is the SMILES notation for 1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine?
The canonical SMILES for 1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine is Fc1ccc(-n2cc(OCC3CCN(C4CCC4)CC3)c(C3CCC3)n2)cc1.
What is the InChIKey of 1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine?
The InChIKey is HDTRUPGSEOWRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c24-19-7-9-21(10-8-19)27-15-22(23(25-27)18-3-1-4-18)28-16-17-11-13-26(14-12-17)20-5-2-6-20/h7-10,15,17-18,20H,1-6,11-14,16H2.
What are the key properties of 1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine?
1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine has a molecular weight of 383.51 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine is sourced from PubChem (CID 138707891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).