N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide

C18H23F3N2O2 — CID 166606164

IUPACN-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C18H23F3N2O2/c1-22(17(24)14-6-7-14)15-3-2-10-23(12-15)11-13-4-8-16(9-5-13)25-18(19,20)21/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3
InChIKeyYDRKEGGHZKLUFK-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.42
Rot. Bonds5

About N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide

N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 166606164) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
PubChem CID166606164
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC NameN-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C18H23F3N2O2/c1-22(17(24)14-6-7-14)15-3-2-10-23(12-15)11-13-4-8-16(9-5-13)25-18(19,20)21/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3
InChIKeyYDRKEGGHZKLUFK-UHFFFAOYSA-N
XLogP3.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide (CID 166606164) is N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide is CN(C(=O)C1CC1)C1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is YDRKEGGHZKLUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-22(17(24)14-6-7-14)15-3-2-10-23(12-15)11-13-4-8-16(9-5-13)25-18(19,20)21/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3.
What are the key properties of N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide?
N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166606164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).