N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C10H15F3N2O2 — CID 62727105

IUPACN-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O2/c1-2-14-8(16)7-3-5-15(6-4-7)9(17)10(11,12)13/h7H,2-6H2,1H3,(H,14,16)
InChIKeyJUHIDABXNOKPIZ-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.92
Rot. Bonds2

About N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 62727105) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID62727105
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC NameN-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O2/c1-2-14-8(16)7-3-5-15(6-4-7)9(17)10(11,12)13/h7H,2-6H2,1H3,(H,14,16)
InChIKeyJUHIDABXNOKPIZ-UHFFFAOYSA-N
XLogP0.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylpiperidine-4-carboxamide hydrochloride
CID 19872414
N,N-Diethyl-4-piperidinecarboxamide
CID 410920
N,N-dimethylpiperidine-4-carboxamide
CID 411689
N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 2186960
1-Acetylpiperidine-4-carboxamide
CID 18474173
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
1-Butanoylpiperidine-4-carboxamide
CID 17312169
N-ethylpiperidine-4-carboxamide hydrochloride
CID 13593162
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide hydrochloride
CID 42933701
N-butylpiperidine-4-carboxamide hydrochloride
CID 50988217
2-Piperidinone, 4-(trifluoromethyl)-
CID 77520161
2,2,2-Trifluoro-N-(piperidin-4-ylmethyl)acetamide
CID 17998885

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 62727105) is N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is JUHIDABXNOKPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-2-14-8(16)7-3-5-15(6-4-7)9(17)10(11,12)13/h7H,2-6H2,1H3,(H,14,16).
What are the key properties of N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 252.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 62727105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).