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

C13H22F2N2O3 — CID 103770389

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)NCC(O)C(F)F)C1
InChIInChI=1S/C13H22F2N2O3/c1-8(2)13(20)17-5-3-4-9(7-17)12(19)16-6-10(18)11(14)15/h8-11,18H,3-7H2,1-2H3,(H,16,19)
InChIKeyABNUJOJUTGIHIP-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.62
Rot. Bonds5

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

N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide (PubChem CID 103770389) has the molecular formula C13H22F2N2O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
PubChem CID103770389
Molecular FormulaC13H22F2N2O3
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)NCC(O)C(F)F)C1
InChIInChI=1S/C13H22F2N2O3/c1-8(2)13(20)17-5-3-4-9(7-17)12(19)16-6-10(18)11(14)15/h8-11,18H,3-7H2,1-2H3,(H,16,19)
InChIKeyABNUJOJUTGIHIP-UHFFFAOYSA-N
XLogP0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.62
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 N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide (CID 103770389) is N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide is CC(C)C(=O)N1CCCC(C(=O)NCC(O)C(F)F)C1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The InChIKey is ABNUJOJUTGIHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O3/c1-8(2)13(20)17-5-3-4-9(7-17)12(19)16-6-10(18)11(14)15/h8-11,18H,3-7H2,1-2H3,(H,16,19).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 103770389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).