N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide

C13H22F2N2O2 — CID 166795935

IUPACN-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide
SMILESCC(=O)C(CCN1CCC(F)(F)CC1)N(C)C(C)=O
InChIInChI=1S/C13H22F2N2O2/c1-10(18)12(16(3)11(2)19)4-7-17-8-5-13(14,15)6-9-17/h12H,4-9H2,1-3H3
InChIKeyIJMPWCJSBNBXRE-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.54
Rot. Bonds5

About N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide

N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide (PubChem CID 166795935) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide
PubChem CID166795935
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC NameN-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide
SMILESCC(=O)C(CCN1CCC(F)(F)CC1)N(C)C(C)=O
InChIInChI=1S/C13H22F2N2O2/c1-10(18)12(16(3)11(2)19)4-7-17-8-5-13(14,15)6-9-17/h12H,4-9H2,1-3H3
InChIKeyIJMPWCJSBNBXRE-UHFFFAOYSA-N
XLogP1.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830
(E)-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]-3-methylbut-2-enedioic acid
CID 141430800
3-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 67522983
1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone
CID 167711467
4,4-difluoro-1-heptylpiperidine
CID 138507375
1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-3-methylurea
CID 77059127
4-O-[2-(4,4-difluoropiperidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 85471584
4-O-[2-(4,4-difluoropiperidin-1-yl)ethyl] 1-O-methyl but-2-enedioate
CID 123921110
4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
CID 55168038
3-(4,4-difluoroazepan-1-yl)propanoic acid
CID 115025049
1-(3,3-difluoropyrrolidin-1-yl)propan-2-one
CID 58245657
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide?
The IUPAC name of N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide (CID 166795935) is N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide is CC(=O)C(CCN1CCC(F)(F)CC1)N(C)C(C)=O.
What is the InChIKey of N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide?
The InChIKey is IJMPWCJSBNBXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-10(18)12(16(3)11(2)19)4-7-17-8-5-13(14,15)6-9-17/h12H,4-9H2,1-3H3.
What are the key properties of N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide?
N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide has a molecular weight of 276.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide is sourced from PubChem (CID 166795935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).