1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide

C11H19F3N2O — CID 138603770

IUPAC1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-16-7-3-9(4-8-16)10(17)15-6-5-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyQGIUAATWSCCGET-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds4

About 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide

1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (PubChem CID 138603770) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
PubChem CID138603770
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-16-7-3-9(4-8-16)10(17)15-6-5-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyQGIUAATWSCCGET-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
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-(2-(4-Piperidinyl)ethyl)-2-pyrrolidinone
CID 4712456
1-(Piperidin-4-ylcarbonyl)piperidine
CID 2794688
1-Acetylpiperidine-4-carboxamide
CID 18474173
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
N-((1-methylpiperidin-4-yl)methyl)pivalamide
CID 16895339
N-((1-isopropylpiperidin-4-yl)methyl)isobutyramide
CID 16895472
1-Butanoylpiperidine-4-carboxamide
CID 17312169
N-ethylpiperidine-4-carboxamide hydrochloride
CID 13593162

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (CID 138603770) is 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is CCN1CCC(C(=O)NCCC(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The InChIKey is QGIUAATWSCCGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-16-7-3-9(4-8-16)10(17)15-6-5-11(12,13)14/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 138603770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).