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

C17H27F3N2O2 — CID 126750235

IUPAC2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCCCC2)(C(F)(F)F)CC1
InChIInChI=1S/C17H27F3N2O2/c1-15(2,3)13(23)22-11-7-16(8-12-22,17(18,19)20)14(24)21-9-5-4-6-10-21/h4-12H2,1-3H3
InChIKeyCCRLNSPJCVFCJV-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.22
Rot. Bonds1

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

2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 126750235) has the molecular formula C17H27F3N2O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID126750235
Molecular FormulaC17H27F3N2O2
Molecular Weight348.41 g/mol
Exact Mass348.20
IUPAC Name2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCCCC2)(C(F)(F)F)CC1
InChIInChI=1S/C17H27F3N2O2/c1-15(2,3)13(23)22-11-7-16(8-12-22,17(18,19)20)14(24)21-9-5-4-6-10-21/h4-12H2,1-3H3
InChIKeyCCRLNSPJCVFCJV-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750157
pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
CID 130382404
1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one
CID 126750228
2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 126972962
2,2,2-trifluoro-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406145
1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 175285784
(4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 166513698
3,3,3-trifluoro-2-hydroxy-2-methyl-1-piperidin-1-ylpropan-1-one
CID 10751652
2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione
CID 4999121
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
2-amino-1-(4,4-dimethylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 79812146
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
CID 126750142

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 126750235) is 2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(C(=O)N2CCCCC2)(C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is CCRLNSPJCVFCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N2O2/c1-15(2,3)13(23)22-11-7-16(8-12-22,17(18,19)20)14(24)21-9-5-4-6-10-21/h4-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 348.41 g/mol, XLogP of 3.22, 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-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126750235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).