2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate

C10H16F3N3O3 — CID 63715712

IUPAC2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate
SMILESNC(=O)CN1CCC(NC(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-9(18)15-7-1-3-16(4-2-7)5-8(14)17/h7H,1-6H2,(H2,14,17)(H,15,18)
InChIKeyCVEYJKRYAIOYGA-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.22
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate

2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate (PubChem CID 63715712) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate
PubChem CID63715712
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate
SMILESNC(=O)CN1CCC(NC(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-9(18)15-7-1-3-16(4-2-7)5-8(14)17/h7H,1-6H2,(H2,14,17)(H,15,18)
InChIKeyCVEYJKRYAIOYGA-UHFFFAOYSA-N
XLogP0.22
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate (CID 63715712) is 2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate is NC(=O)CN1CCC(NC(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate?
The InChIKey is CVEYJKRYAIOYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-9(18)15-7-1-3-16(4-2-7)5-8(14)17/h7H,1-6H2,(H2,14,17)(H,15,18).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate?
2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate has a molecular weight of 283.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 63715712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).