3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H23F3N2O — CID 55165274

IUPAC3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(CC)CCCNC1
InChIInChI=1S/C13H23F3N2O/c1-3-8-18(10-13(14,15)16)11(19)12(4-2)6-5-7-17-9-12/h17H,3-10H2,1-2H3
InChIKeyZCHZRRPCLBJKBE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds5

About 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 55165274) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID55165274
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(CC)CCCNC1
InChIInChI=1S/C13H23F3N2O/c1-3-8-18(10-13(14,15)16)11(19)12(4-2)6-5-7-17-9-12/h17H,3-10H2,1-2H3
InChIKeyZCHZRRPCLBJKBE-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethylpiperidine-3-carboxamide
CID 18793
3,3-Diethyl-2-piperidinone
CID 10329495
7-Methyl-2,7-diazaspiro(4.5)decan-6-one
CID 51072222
2-Methyl-2,7-diazaspiro[4.5]decan-1-one
CID 45074128
N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide hydrochloride
CID 54595524
2-(2-Methylpropyl)-2,9-diazaspiro[4.5]decan-1-one
CID 118741541
(3S)-N,N-diethylpiperidine-3-carboxamide
CID 643513
1-(2,2-Dimethylpropanoyl)-N-methyl-3-piperidinecarboxamide
CID 47406835
N-hexylpiperidine-3-carboxamide
CID 43589709
7-Methyl-2,7-diazaspiro[4.5]decan-6-one hydrochloride
CID 75481667
1,1-Difluoro-5-azaspiro[2.5]octan-4-one
CID 137966067
N,N,3-triethylpiperidine-3-carboxamide hydrochloride
CID 138987554

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 55165274) is 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCCN(CC(F)(F)F)C(=O)C1(CC)CCCNC1.
What is the InChIKey of 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ZCHZRRPCLBJKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-8-18(10-13(14,15)16)11(19)12(4-2)6-5-7-17-9-12/h17H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55165274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).