N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide

C15H25F3N2O2 — CID 123724865

IUPACN-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
SMILESCCC1CC1N(CC1(COC)CCNCC1)C(=O)C(F)(F)F
InChIInChI=1S/C15H25F3N2O2/c1-3-11-8-12(11)20(13(21)15(16,17)18)9-14(10-22-2)4-6-19-7-5-14/h11-12,19H,3-10H2,1-2H3
InChIKeyGCILFYILAWVIEF-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.19
Rot. Bonds6

About N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide

N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 123724865) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
PubChem CID123724865
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC NameN-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
SMILESCCC1CC1N(CC1(COC)CCNCC1)C(=O)C(F)(F)F
InChIInChI=1S/C15H25F3N2O2/c1-3-11-8-12(11)20(13(21)15(16,17)18)9-14(10-22-2)4-6-19-7-5-14/h11-12,19H,3-10H2,1-2H3
InChIKeyGCILFYILAWVIEF-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide (CID 123724865) is N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide is CCC1CC1N(CC1(COC)CCNCC1)C(=O)C(F)(F)F.
What is the InChIKey of N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is GCILFYILAWVIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-3-11-8-12(11)20(13(21)15(16,17)18)9-14(10-22-2)4-6-19-7-5-14/h11-12,19H,3-10H2,1-2H3.
What are the key properties of N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?
N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 123724865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).