2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one

C16H25F3N2O2 — CID 126750473

IUPAC2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCCC2)(C(F)(F)F)CC1
InChIInChI=1S/C16H25F3N2O2/c1-14(2,3)12(22)21-10-6-15(7-11-21,16(17,18)19)13(23)20-8-4-5-9-20/h4-11H2,1-3H3
InChIKeyUZRJUGQFZWABTE-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.83
Rot. Bonds1

About 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 126750473) has the molecular formula C16H25F3N2O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID126750473
Molecular FormulaC16H25F3N2O2
Molecular Weight334.38 g/mol
Exact Mass334.19
IUPAC Name2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCCC2)(C(F)(F)F)CC1
InChIInChI=1S/C16H25F3N2O2/c1-14(2,3)12(22)21-10-6-15(7-11-21,16(17,18)19)13(23)20-8-4-5-9-20/h4-11H2,1-3H3
InChIKeyUZRJUGQFZWABTE-UHFFFAOYSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 126750473) is 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(C(=O)N2CCCC2)(C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is UZRJUGQFZWABTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O2/c1-14(2,3)12(22)21-10-6-15(7-11-21,16(17,18)19)13(23)20-8-4-5-9-20/h4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 334.38 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126750473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).