1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C15H23F3N2O2 — CID 126750157

IUPAC1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCC2)(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O2/c1-13(2,3)11(21)20-9-5-14(6-10-20,15(16,17)18)12(22)19-7-4-8-19/h4-10H2,1-3H3
InChIKeyDPDRACIBBAIRAQ-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.44
Rot. Bonds1

About 1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 126750157) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID126750157
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Name1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCC2)(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O2/c1-13(2,3)11(21)20-9-5-14(6-10-20,15(16,17)18)12(22)19-7-4-8-19/h4-10H2,1-3H3
InChIKeyDPDRACIBBAIRAQ-UHFFFAOYSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 126750157) is 1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(C(=O)N2CCC2)(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is DPDRACIBBAIRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O2/c1-13(2,3)11(21)20-9-5-14(6-10-20,15(16,17)18)12(22)19-7-4-8-19/h4-10H2,1-3H3.
What are the key properties of 1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 320.36 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).