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

C13H21F3N2O3 — CID 103726189

IUPAC1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O3/c1-8(2)12(21)18-5-3-4-9(7-18)11(20)17-6-10(19)13(14,15)16/h8-10,19H,3-7H2,1-2H3,(H,17,20)
InChIKeyLPQXLKQDVLZSLU-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.92
Rot. Bonds4

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

1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 103726189) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
PubChem CID103726189
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O3/c1-8(2)12(21)18-5-3-4-9(7-18)11(20)17-6-10(19)13(14,15)16/h8-10,19H,3-7H2,1-2H3,(H,17,20)
InChIKeyLPQXLKQDVLZSLU-UHFFFAOYSA-N
XLogP0.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.92
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-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (CID 103726189) is 1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is CC(C)C(=O)N1CCCC(C(=O)NCC(O)C(F)(F)F)C1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is LPQXLKQDVLZSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-8(2)12(21)18-5-3-4-9(7-18)11(20)17-6-10(19)13(14,15)16/h8-10,19H,3-7H2,1-2H3,(H,17,20).
What are the key properties of 1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 103726189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).