2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide

C18H32F3N3O — CID 118052221

IUPAC2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
SMILESCC1CCN(CC(=O)N(CC(C)CC(F)(F)F)C2CCNCC2)CC1
InChIInChI=1S/C18H32F3N3O/c1-14-5-9-23(10-6-14)13-17(25)24(16-3-7-22-8-4-16)12-15(2)11-18(19,20)21/h14-16,22H,3-13H2,1-2H3
InChIKeyWYOHURUXZAFUOH-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.89
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide

2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide (PubChem CID 118052221) has the molecular formula C18H32F3N3O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
PubChem CID118052221
Molecular FormulaC18H32F3N3O
Molecular Weight363.47 g/mol
Exact Mass363.25
IUPAC Name2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
SMILESCC1CCN(CC(=O)N(CC(C)CC(F)(F)F)C2CCNCC2)CC1
InChIInChI=1S/C18H32F3N3O/c1-14-5-9-23(10-6-14)13-17(25)24(16-3-7-22-8-4-16)12-15(2)11-18(19,20)21/h14-16,22H,3-13H2,1-2H3
InChIKeyWYOHURUXZAFUOH-UHFFFAOYSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide (CID 118052221) is 2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide is CC1CCN(CC(=O)N(CC(C)CC(F)(F)F)C2CCNCC2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide?
The InChIKey is WYOHURUXZAFUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3N3O/c1-14-5-9-23(10-6-14)13-17(25)24(16-3-7-22-8-4-16)12-15(2)11-18(19,20)21/h14-16,22H,3-13H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide?
2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide has a molecular weight of 363.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide is sourced from PubChem (CID 118052221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).