N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C11H19F3N2O — CID 55028790

IUPACN-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CCNCC1
InChIInChI=1S/C11H19F3N2O/c1-2-7-16(8-11(12,13)14)10(17)9-3-5-15-6-4-9/h9,15H,2-8H2,1H3
InChIKeyDOOVPSURXBOZSA-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds4

About N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 55028790) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID55028790
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CCNCC1
InChIInChI=1S/C11H19F3N2O/c1-2-7-16(8-11(12,13)14)10(17)9-3-5-15-6-4-9/h9,15H,2-8H2,1H3
InChIKeyDOOVPSURXBOZSA-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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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 55028790) is N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCCN(CC(F)(F)F)C(=O)C1CCNCC1.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is DOOVPSURXBOZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-7-16(8-11(12,13)14)10(17)9-3-5-15-6-4-9/h9,15H,2-8H2,1H3.
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-propyl-N-(2,2,2-trifluoroethyl)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 N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55028790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).