N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide

C10H16F3N3O2 — CID 87263098

IUPACN-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
SMILESNC(=O)CC1(CNC(=O)C(F)(F)F)CCNCC1
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)8(18)16-6-9(5-7(14)17)1-3-15-4-2-9/h15H,1-6H2,(H2,14,17)(H,16,18)
InChIKeyAMAHIJXLYJHRJJ-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.09
Rot. Bonds4

About N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide

N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 87263098) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID87263098
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
SMILESNC(=O)CC1(CNC(=O)C(F)(F)F)CCNCC1
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)8(18)16-6-9(5-7(14)17)1-3-15-4-2-9/h15H,1-6H2,(H2,14,17)(H,16,18)
InChIKeyAMAHIJXLYJHRJJ-UHFFFAOYSA-N
XLogP-0.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide (CID 87263098) is N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide is NC(=O)CC1(CNC(=O)C(F)(F)F)CCNCC1.
What is the InChIKey of N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is AMAHIJXLYJHRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c11-10(12,13)8(18)16-6-9(5-7(14)17)1-3-15-4-2-9/h15H,1-6H2,(H2,14,17)(H,16,18).
What are the key properties of N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 267.25 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87263098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).