2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide

C12H23F2N3O — CID 83993367

IUPAC2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide
SMILESCCCC1CC(NCC(F)F)CN(CC(N)=O)C1
InChIInChI=1S/C12H23F2N3O/c1-2-3-9-4-10(16-5-11(13)14)7-17(6-9)8-12(15)18/h9-11,16H,2-8H2,1H3,(H2,15,18)
InChIKeyPBMRUIDWBCICNX-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.82
Rot. Bonds7

About 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide

2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide (PubChem CID 83993367) has the molecular formula C12H23F2N3O and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide
PubChem CID83993367
Molecular FormulaC12H23F2N3O
Molecular Weight263.33 g/mol
Exact Mass263.18
IUPAC Name2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide
SMILESCCCC1CC(NCC(F)F)CN(CC(N)=O)C1
InChIInChI=1S/C12H23F2N3O/c1-2-3-9-4-10(16-5-11(13)14)7-17(6-9)8-12(15)18/h9-11,16H,2-8H2,1H3,(H2,15,18)
InChIKeyPBMRUIDWBCICNX-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-5-propylpiperidin-1-yl)acetamide
CID 83989452
2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide
CID 83994764
ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
CID 83993332
methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83992834
2-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]acetamide
CID 83991982
5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine
CID 83992822
3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992872
2-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]acetamide
CID 83999592
methyl 3-butyl-5-(2,2-difluoroethylamino)piperidine-1-carboxylate
CID 83992924
methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate
CID 83991353
2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 83995449
3-[5-(2,2-difluoroethylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83992910

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide?
The IUPAC name of 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide (CID 83993367) is 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide is CCCC1CC(NCC(F)F)CN(CC(N)=O)C1.
What is the InChIKey of 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide?
The InChIKey is PBMRUIDWBCICNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N3O/c1-2-3-9-4-10(16-5-11(13)14)7-17(6-9)8-12(15)18/h9-11,16H,2-8H2,1H3,(H2,15,18).
What are the key properties of 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide?
2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide has a molecular weight of 263.33 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide is sourced from PubChem (CID 83993367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).