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

C13H22F2N2O3 — CID 104857484

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)NCC(F)(F)CO)C1
InChIInChI=1S/C13H22F2N2O3/c1-9(2)12(20)17-5-3-4-10(6-17)11(19)16-7-13(14,15)8-18/h9-10,18H,3-8H2,1-2H3,(H,16,19)
InChIKeyHPDMVUVCLNFBSA-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.62
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide (PubChem CID 104857484) has the molecular formula C13H22F2N2O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
PubChem CID104857484
Molecular FormulaC13H22F2N2O3
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)NCC(F)(F)CO)C1
InChIInChI=1S/C13H22F2N2O3/c1-9(2)12(20)17-5-3-4-10(6-17)11(19)16-7-13(14,15)8-18/h9-10,18H,3-8H2,1-2H3,(H,16,19)
InChIKeyHPDMVUVCLNFBSA-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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide (CID 104857484) is N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide is CC(C)C(=O)N1CCCC(C(=O)NCC(F)(F)CO)C1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The InChIKey is HPDMVUVCLNFBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O3/c1-9(2)12(20)17-5-3-4-10(6-17)11(19)16-7-13(14,15)8-18/h9-10,18H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
N-(2,2-difluoro-3-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-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 104857484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).