N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide

C12H20F3N3O3 — CID 56808810

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C12H20F3N3O3/c1-8(21-7-12(13,14)15)11(20)17-9-2-4-18(5-3-9)6-10(16)19/h8-9H,2-7H2,1H3,(H2,16,19)(H,17,20)
InChIKeyIRCLGHODMDCGMV-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.02
Rot. Bonds6

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 56808810) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID56808810
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C12H20F3N3O3/c1-8(21-7-12(13,14)15)11(20)17-9-2-4-18(5-3-9)6-10(16)19/h8-9H,2-7H2,1H3,(H2,16,19)(H,17,20)
InChIKeyIRCLGHODMDCGMV-UHFFFAOYSA-N
XLogP0.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 56808810) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is IRCLGHODMDCGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-8(21-7-12(13,14)15)11(20)17-9-2-4-18(5-3-9)6-10(16)19/h8-9H,2-7H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 311.30 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 56808810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).