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

C12H21F3N2O2 — CID 55166812

IUPAC3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)N(CCO)CC(F)(F)F)CCCNC1
InChIInChI=1S/C12H21F3N2O2/c1-2-11(4-3-5-16-8-11)10(19)17(6-7-18)9-12(13,14)15/h16,18H,2-9H2,1H3
InChIKeyHWPWLLNAMKKUSY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.15
Rot. Bonds5

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

3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 55166812) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID55166812
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)N(CCO)CC(F)(F)F)CCCNC1
InChIInChI=1S/C12H21F3N2O2/c1-2-11(4-3-5-16-8-11)10(19)17(6-7-18)9-12(13,14)15/h16,18H,2-9H2,1H3
InChIKeyHWPWLLNAMKKUSY-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54874246
1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988718
2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide
CID 134168398
2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide
CID 166764713
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 54910895
N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55049436
N-(2-hydroxyethyl)-2-piperidin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 55105632
3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55165274
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55260504
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55260889
N-(2-hydroxyethyl)-3-piperidin-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 61706820
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 63122031

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 55166812) is 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCC1(C(=O)N(CCO)CC(F)(F)F)CCCNC1.
What is the InChIKey of 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is HWPWLLNAMKKUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-11(4-3-5-16-8-11)10(19)17(6-7-18)9-12(13,14)15/h16,18H,2-9H2,1H3.
What are the key properties of 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55166812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).