1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide

C10H18F3N3O — CID 54893206

IUPAC1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide
SMILESCCN1CCC(NCC(F)(F)F)(C(N)=O)CC1
InChIInChI=1S/C10H18F3N3O/c1-2-16-5-3-9(4-6-16,8(14)17)15-7-10(11,12)13/h15H,2-7H2,1H3,(H2,14,17)
InChIKeyMKVSZRNYOZWJEP-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.48
Rot. Bonds4

About 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide

1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide (PubChem CID 54893206) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide
PubChem CID54893206
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide
SMILESCCN1CCC(NCC(F)(F)F)(C(N)=O)CC1
InChIInChI=1S/C10H18F3N3O/c1-2-16-5-3-9(4-6-16,8(14)17)15-7-10(11,12)13/h15H,2-7H2,1H3,(H2,14,17)
InChIKeyMKVSZRNYOZWJEP-UHFFFAOYSA-N
XLogP0.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxamide
CID 60999133
1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 64755902
1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
CID 54892985
1-ethyl-4-(3-fluoro-5-methylanilino)azepane-4-carboxamide
CID 79044709
1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
CID 43753645
4-(ethylamino)-1-iodopiperidine-4-carboxamide
CID 145006670
4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide
CID 54892029
1-ethyl-3-(ethylamino)azetidine-3-carboxamide
CID 67585701
1-ethyl-4-(methylamino)azepane-4-carboxylic acid
CID 65075798
4-(2-bromoanilino)-1-ethylazepane-4-carboxamide
CID 65076343
ethyl 3,3,5,5-tetramethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylate
CID 115999245
3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626289

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide?
The IUPAC name of 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide (CID 54893206) is 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide is CCN1CCC(NCC(F)(F)F)(C(N)=O)CC1.
What is the InChIKey of 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide?
The InChIKey is MKVSZRNYOZWJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-2-16-5-3-9(4-6-16,8(14)17)15-7-10(11,12)13/h15H,2-7H2,1H3,(H2,14,17).
What are the key properties of 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide?
1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide is sourced from PubChem (CID 54893206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).