N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide

C13H21F3N2O2 — CID 75394932

IUPACN-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c1-3-11(19)18-8-6-5-7-10(18)12(20)17(4-2)9-13(14,15)16/h10H,3-9H2,1-2H3
InChIKeyRUBSJENEZHKJSV-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.19
Rot. Bonds4

About N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide

N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (PubChem CID 75394932) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
PubChem CID75394932
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c1-3-11(19)18-8-6-5-7-10(18)12(20)17(4-2)9-13(14,15)16/h10H,3-9H2,1-2H3
InChIKeyRUBSJENEZHKJSV-UHFFFAOYSA-N
XLogP2.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The IUPAC name of N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (CID 75394932) is N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The canonical SMILES for N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is CCC(=O)N1CCCCC1C(=O)N(CC)CC(F)(F)F.
What is the InChIKey of N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The InChIKey is RUBSJENEZHKJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-3-11(19)18-8-6-5-7-10(18)12(20)17(4-2)9-13(14,15)16/h10H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is sourced from PubChem (CID 75394932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).