2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide

C17H27F3N2O2 — CID 57143126

IUPAC2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide
SMILESCCCC1CCN(C(=O)C2(NC(=O)C(F)(F)F)CCCCC2)CC1
InChIInChI=1S/C17H27F3N2O2/c1-2-6-13-7-11-22(12-8-13)15(24)16(9-4-3-5-10-16)21-14(23)17(18,19)20/h13H,2-12H2,1H3,(H,21,23)
InChIKeyKAXYUXPTOZTEQD-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.41
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide

2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide (PubChem CID 57143126) has the molecular formula C17H27F3N2O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide
PubChem CID57143126
Molecular FormulaC17H27F3N2O2
Molecular Weight348.41 g/mol
Exact Mass348.20
IUPAC Name2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide
SMILESCCCC1CCN(C(=O)C2(NC(=O)C(F)(F)F)CCCCC2)CC1
InChIInChI=1S/C17H27F3N2O2/c1-2-6-13-7-11-22(12-8-13)15(24)16(9-4-3-5-10-16)21-14(23)17(18,19)20/h13H,2-12H2,1H3,(H,21,23)
InChIKeyKAXYUXPTOZTEQD-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide (CID 57143126) is 2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide is CCCC1CCN(C(=O)C2(NC(=O)C(F)(F)F)CCCCC2)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide?
The InChIKey is KAXYUXPTOZTEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N2O2/c1-2-6-13-7-11-22(12-8-13)15(24)16(9-4-3-5-10-16)21-14(23)17(18,19)20/h13H,2-12H2,1H3,(H,21,23).
What are the key properties of 2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide?
2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide is sourced from PubChem (CID 57143126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).