(3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone

C16H22F3N3O2 — CID 170373571

IUPAC(3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESCC1(O)CC(C(=O)N2CCC(Cn3ccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C16H22F3N3O2/c1-15(24)8-12(9-15)14(23)21-5-2-11(3-6-21)10-22-7-4-13(20-22)16(17,18)19/h4,7,11-12,24H,2-3,5-6,8-10H2,1H3
InChIKeyZTIDFXPIGJSCNF-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.30
Rot. Bonds3

About (3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone (PubChem CID 170373571) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone
PubChem CID170373571
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESCC1(O)CC(C(=O)N2CCC(Cn3ccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C16H22F3N3O2/c1-15(24)8-12(9-15)14(23)21-5-2-11(3-6-21)10-22-7-4-13(20-22)16(17,18)19/h4,7,11-12,24H,2-3,5-6,8-10H2,1H3
InChIKeyZTIDFXPIGJSCNF-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone (CID 170373571) is (3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone is CC1(O)CC(C(=O)N2CCC(Cn3ccc(C(F)(F)F)n3)CC2)C1.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is ZTIDFXPIGJSCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-15(24)8-12(9-15)14(23)21-5-2-11(3-6-21)10-22-7-4-13(20-22)16(17,18)19/h4,7,11-12,24H,2-3,5-6,8-10H2,1H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 345.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 170373571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).