N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide

C10H16F3N3O2 — CID 60801233

IUPACN-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide
SMILESNC(=O)CN(C(=O)CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)5-9(18)16(6-8(14)17)7-1-3-15-4-2-7/h7,15H,1-6H2,(H2,14,17)
InChIKeyIPFFOADQONMGRS-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.00
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide

N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide (PubChem CID 60801233) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide
PubChem CID60801233
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide
SMILESNC(=O)CN(C(=O)CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)5-9(18)16(6-8(14)17)7-1-3-15-4-2-7/h7,15H,1-6H2,(H2,14,17)
InChIKeyIPFFOADQONMGRS-UHFFFAOYSA-N
XLogP0.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide (CID 60801233) is N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide is NC(=O)CN(C(=O)CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide?
The InChIKey is IPFFOADQONMGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c11-10(12,13)5-9(18)16(6-8(14)17)7-1-3-15-4-2-7/h7,15H,1-6H2,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide?
N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide has a molecular weight of 267.25 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 60801233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).