1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide

C11H17F3N2O3 — CID 103726355

IUPAC1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-7(17)16-4-2-3-8(6-16)10(19)15-5-9(18)11(12,13)14/h8-9,18H,2-6H2,1H3,(H,15,19)
InChIKeyDXSSRWXXOGFCGN-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.28
Rot. Bonds3

About 1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide

1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 103726355) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
PubChem CID103726355
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-7(17)16-4-2-3-8(6-16)10(19)15-5-9(18)11(12,13)14/h8-9,18H,2-6H2,1H3,(H,15,19)
InChIKeyDXSSRWXXOGFCGN-UHFFFAOYSA-N
XLogP0.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 2760459
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54874246
N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 56789174
1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988718
4-Methyl-1-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]pentan-1-one
CID 75507490
3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 134435308
3,3-difluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 134506075
N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 134515026
N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
CID 142439224
N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
CID 142439260
N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
CID 142439306
4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
CID 142439312

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (CID 103726355) is 1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCC(O)C(F)(F)F)C1.
What is the InChIKey of 1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is DXSSRWXXOGFCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-7(17)16-4-2-3-8(6-16)10(19)15-5-9(18)11(12,13)14/h8-9,18H,2-6H2,1H3,(H,15,19).
What are the key properties of 1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 103726355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).