4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C10H16F3N3O2 — CID 49468481

IUPAC4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC(=O)NC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O2/c1-7(17)15-8-2-4-16(5-3-8)9(18)14-6-10(11,12)13/h8H,2-6H2,1H3,(H,14,18)(H,15,17)
InChIKeyPSGMIZZQPLPJAU-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.86
Rot. Bonds2

About 4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 49468481) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID49468481
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC(=O)NC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O2/c1-7(17)15-8-2-4-16(5-3-8)9(18)14-6-10(11,12)13/h8H,2-6H2,1H3,(H,14,18)(H,15,17)
InChIKeyPSGMIZZQPLPJAU-UHFFFAOYSA-N
XLogP0.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 49468481) is 4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CC(=O)NC1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is PSGMIZZQPLPJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-7(17)15-8-2-4-16(5-3-8)9(18)14-6-10(11,12)13/h8H,2-6H2,1H3,(H,14,18)(H,15,17).
What are the key properties of 4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 267.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 49468481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).