1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C12H19F3N2O3 — CID 103915388

IUPAC1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c1-9(19)16-4-2-10(3-5-16)11(20)17(6-7-18)8-12(13,14)15/h10,18H,2-8H2,1H3
InChIKeyJYHMOASFENKIMR-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.63
Rot. Bonds4

About 1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 103915388) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID103915388
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c1-9(19)16-4-2-10(3-5-16)11(20)17(6-7-18)8-12(13,14)15/h10,18H,2-8H2,1H3
InChIKeyJYHMOASFENKIMR-UHFFFAOYSA-N
XLogP0.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]pentan-1-one
CID 75507490
3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
3,3,3-Trifluoro-2-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 89935849
3,3,3-Trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 123148937
1-(3,3-Difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone
CID 130733246
1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 155262198
1-(4,4-Difluoropiperidin-1-yl)butan-1-one;3-methylbutan-2-ol
CID 164604907
1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidine-4-carbaldehyde
CID 173895198
1-(3,3-Difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane
CID 178001085
1-(4-Ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
CID 178001423
N,N-dimethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 52904894
[4-(2-Hydroxypropyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 53624001

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 103915388) is 1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CCO)CC(F)(F)F)CC1.
What is the InChIKey of 1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is JYHMOASFENKIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-9(19)16-4-2-10(3-5-16)11(20)17(6-7-18)8-12(13,14)15/h10,18H,2-8H2,1H3.
What are the key properties of 1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 103915388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).