N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide

C10H18F3N3O2 — CID 83262048

IUPACN,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NOCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O2/c1-15(2)9(17)16-5-3-8(4-6-16)14-18-7-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyBPNCKYYQVGBFRL-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.22
Rot. Bonds3

About N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide

N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide (PubChem CID 83262048) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide
PubChem CID83262048
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC NameN,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NOCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O2/c1-15(2)9(17)16-5-3-8(4-6-16)14-18-7-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyBPNCKYYQVGBFRL-UHFFFAOYSA-N
XLogP1.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide (CID 83262048) is N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide is CN(C)C(=O)N1CCC(NOCC(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide?
The InChIKey is BPNCKYYQVGBFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-15(2)9(17)16-5-3-8(4-6-16)14-18-7-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide?
N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide has a molecular weight of 269.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide is sourced from PubChem (CID 83262048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).