N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C18H25F3N2O2 — CID 55714928

IUPACN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)COCC(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O2/c1-14-4-2-3-9-23(14)11-16-7-5-15(6-8-16)10-22-17(24)12-25-13-18(19,20)21/h5-8,14H,2-4,9-13H2,1H3,(H,22,24)
InChIKeyBCPKZWYHJKXALZ-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.26
Rot. Bonds7

About N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 55714928) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID55714928
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)COCC(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O2/c1-14-4-2-3-9-23(14)11-16-7-5-15(6-8-16)10-22-17(24)12-25-13-18(19,20)21/h5-8,14H,2-4,9-13H2,1H3,(H,22,24)
InChIKeyBCPKZWYHJKXALZ-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 55714928) is N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is CC1CCCCN1Cc1ccc(CNC(=O)COCC(F)(F)F)cc1.
What is the InChIKey of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is BCPKZWYHJKXALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-14-4-2-3-9-23(14)11-16-7-5-15(6-8-16)10-22-17(24)12-25-13-18(19,20)21/h5-8,14H,2-4,9-13H2,1H3,(H,22,24).
What are the key properties of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 358.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 55714928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).