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

C11H19F3N2O — CID 55174367

IUPAC4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCCC1(C(=O)NCCC(F)(F)F)CCNCC1
InChIInChI=1S/C11H19F3N2O/c1-2-10(3-6-15-7-4-10)9(17)16-8-5-11(12,13)14/h15H,2-8H2,1H3,(H,16,17)
InChIKeyIQLBOHPKGLWLIC-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.83
Rot. Bonds4

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

4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (PubChem CID 55174367) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
PubChem CID55174367
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCCC1(C(=O)NCCC(F)(F)F)CCNCC1
InChIInChI=1S/C11H19F3N2O/c1-2-10(3-6-15-7-4-10)9(17)16-8-5-11(12,13)14/h15H,2-8H2,1H3,(H,16,17)
InChIKeyIQLBOHPKGLWLIC-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (CID 55174367) is 4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is CCC1(C(=O)NCCC(F)(F)F)CCNCC1.
What is the InChIKey of 4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The InChIKey is IQLBOHPKGLWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-10(3-6-15-7-4-10)9(17)16-8-5-11(12,13)14/h15H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55174367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).