N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide

C14H21F3N2O3 — CID 5142237

IUPACN-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(=O)N1CCC(N(C(=O)COCC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C14H21F3N2O3/c1-10(20)18-6-4-12(5-7-18)19(11-2-3-11)13(21)8-22-9-14(15,16)17/h11-12H,2-9H2,1H3
InChIKeyLRBGOXHMMFGYOA-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.57
Rot. Bonds5

About N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 5142237) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID5142237
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC NameN-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(=O)N1CCC(N(C(=O)COCC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C14H21F3N2O3/c1-10(20)18-6-4-12(5-7-18)19(11-2-3-11)13(21)8-22-9-14(15,16)17/h11-12H,2-9H2,1H3
InChIKeyLRBGOXHMMFGYOA-UHFFFAOYSA-N
XLogP1.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 5142237) is N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide is CC(=O)N1CCC(N(C(=O)COCC(F)(F)F)C2CC2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is LRBGOXHMMFGYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c1-10(20)18-6-4-12(5-7-18)19(11-2-3-11)13(21)8-22-9-14(15,16)17/h11-12H,2-9H2,1H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 322.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 5142237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).