N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide

C16H25F3N2O2 — CID 139606156

IUPACN-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide
SMILESCC1(C)CCN(C(=O)C2CCC(NC(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H25F3N2O2/c1-15(2)7-9-21(10-8-15)13(22)11-3-5-12(6-4-11)20-14(23)16(17,18)19/h11-12H,3-10H2,1-2H3,(H,20,23)
InChIKeyUIIFTBRUMNTMKT-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.87
Rot. Bonds2

About N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide

N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide (PubChem CID 139606156) has the molecular formula C16H25F3N2O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide
PubChem CID139606156
Molecular FormulaC16H25F3N2O2
Molecular Weight334.38 g/mol
Exact Mass334.19
IUPAC NameN-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide
SMILESCC1(C)CCN(C(=O)C2CCC(NC(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H25F3N2O2/c1-15(2)7-9-21(10-8-15)13(22)11-3-5-12(6-4-11)20-14(23)16(17,18)19/h11-12H,3-10H2,1-2H3,(H,20,23)
InChIKeyUIIFTBRUMNTMKT-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide (CID 139606156) is N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide is CC1(C)CCN(C(=O)C2CCC(NC(=O)C(F)(F)F)CC2)CC1.
What is the InChIKey of N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is UIIFTBRUMNTMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O2/c1-15(2)7-9-21(10-8-15)13(22)11-3-5-12(6-4-11)20-14(23)16(17,18)19/h11-12H,3-10H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide?
N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 334.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 139606156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).